# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988
# Chemical Composition:  C14CuH8O5

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A14BC8D5_cF1344_209_7j_g_4j_g2j-001

# Last updated on 2024/08/01

data_C672Cu48H384O240
_pd_phase_name C672Cu48H384O240
_cell_length_a  37.2300100000
_cell_length_b  37.2300100000
_cell_length_c  37.2300100000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'F432'
_symmetry_Int_Tables_Number  209
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -x,y,-z
  4  x,-y,-z
  5  z,x,y
  6  z,-x,-y
  7  -z,-x,y
  8  -z,x,-y
  9  y,z,x
  10  -y,z,-x
  11  y,-z,-x
  12  -y,-z,x
  13  y,x,-z
  14  -y,-x,-z
  15  y,-x,z
  16  -y,x,z
  17  x,z,-y
  18  -x,z,y
  19  -x,-z,-y
  20  x,-z,y
  21  z,y,-x
  22  z,-y,x
  23  -z,y,x
  24  -z,-y,-x
  25  x,y+1/2,z+1/2
  26  -x,-y+1/2,z+1/2
  27  -x,y+1/2,-z+1/2
  28  x,-y+1/2,-z+1/2
  29  z,x+1/2,y+1/2
  30  z,-x+1/2,-y+1/2
  31  -z,-x+1/2,y+1/2
  32  -z,x+1/2,-y+1/2
  33  y,z+1/2,x+1/2
  34  -y,z+1/2,-x+1/2
  35  y,-z+1/2,-x+1/2
  36  -y,-z+1/2,x+1/2
  37  y,x+1/2,-z+1/2
  38  -y,-x+1/2,-z+1/2
  39  y,-x+1/2,z+1/2
  40  -y,x+1/2,z+1/2
  41  x,z+1/2,-y+1/2
  42  -x,z+1/2,y+1/2
  43  -x,-z+1/2,-y+1/2
  44  x,-z+1/2,y+1/2
  45  z,y+1/2,-x+1/2
  46  z,-y+1/2,x+1/2
  47  -z,y+1/2,x+1/2
  48  -z,-y+1/2,-x+1/2
  49  x+1/2,y,z+1/2
  50  -x+1/2,-y,z+1/2
  51  -x+1/2,y,-z+1/2
  52  x+1/2,-y,-z+1/2
  53  z+1/2,x,y+1/2
  54  z+1/2,-x,-y+1/2
  55  -z+1/2,-x,y+1/2
  56  -z+1/2,x,-y+1/2
  57  y+1/2,z,x+1/2
  58  -y+1/2,z,-x+1/2
  59  y+1/2,-z,-x+1/2
  60  -y+1/2,-z,x+1/2
  61  y+1/2,x,-z+1/2
  62  -y+1/2,-x,-z+1/2
  63  y+1/2,-x,z+1/2
  64  -y+1/2,x,z+1/2
  65  x+1/2,z,-y+1/2
  66  -x+1/2,z,y+1/2
  67  -x+1/2,-z,-y+1/2
  68  x+1/2,-z,y+1/2
  69  z+1/2,y,-x+1/2
  70  z+1/2,-y,x+1/2
  71  -z+1/2,y,x+1/2
  72  -z+1/2,-y,-x+1/2
  73  x+1/2,y+1/2,z
  74  -x+1/2,-y+1/2,z
  75  -x+1/2,y+1/2,-z
  76  x+1/2,-y+1/2,-z
  77  z+1/2,x+1/2,y
  78  z+1/2,-x+1/2,-y
  79  -z+1/2,-x+1/2,y
  80  -z+1/2,x+1/2,-y
  81  y+1/2,z+1/2,x
  82  -y+1/2,z+1/2,-x
  83  y+1/2,-z+1/2,-x
  84  -y+1/2,-z+1/2,x
  85  y+1/2,x+1/2,-z
  86  -y+1/2,-x+1/2,-z
  87  y+1/2,-x+1/2,z
  88  -y+1/2,x+1/2,z
  89  x+1/2,z+1/2,-y
  90  -x+1/2,z+1/2,y
  91  -x+1/2,-z+1/2,-y
  92  x+1/2,-z+1/2,y
  93  z+1/2,y+1/2,-x
  94  z+1/2,-y+1/2,x
  95  -z+1/2,y+1/2,x
  96  -z+1/2,-y+1/2,-x
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Cu8 1.0000000000 0.0000000000 0.2258000000 0.2258000000  Biso 1.0 Cu 48 g
O13 1.0000000000 0.0000000000 0.1840000000 0.1840000000  Biso 1.0 O 48 g
C1 1.0000000000 0.1858700000 0.7878000000 0.4217500000  Biso 1.0 C 96 j
C2 1.0000000000 0.1965000000 0.8176900000 0.4020300000  Biso 1.0 C 96 j
C3 1.0000000000 0.1765900000 0.8288800000 0.3727000000  Biso 1.0 C 96 j
C4 1.0000000000 0.1447500000 0.8106000000 0.3631800000  Biso 1.0 C 96 j
C5 1.0000000000 0.1334800000 0.7807600000 0.3835700000  Biso 1.0 C 96 j
C6 1.0000000000 0.1542800000 0.7696000000 0.4126400000  Biso 1.0 C 96 j
C7 1.0000000000 0.2074000000 0.7754000000 0.4524000000  Biso 1.0 C 96 j
H10 1.0000000000 0.1638000000 0.6861000000 0.4845000000  Biso 1.0 H 96 j
H11 1.0000000000 0.1120000000 0.7684000000 0.3776000000  Biso 1.0 H 96 j
H12 1.0000000000 0.1469000000 0.7494000000 0.4264000000  Biso 1.0 H 96 j
H9 1.0000000000 0.2176000000 0.8305000000 0.4087000000  Biso 1.0 H 96 j
O14 1.0000000000 0.1951200000 0.7470900000 0.4638800000  Biso 1.0 O 96 j
O15 1.0000000000 0.2348600000 0.7917400000 0.4594500000  Biso 1.0 O 96 j
