# 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:  Au2C4CoN4

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B4CD4_hP66_181_k_2k_f_2k-001

# Last updated on 2024/08/01

data_Au12C24Co6N24
_pd_phase_name Au12C24Co6N24
_cell_length_a  8.4340000000
_cell_length_b  8.4340000000
_cell_length_c  20.6950000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{4}22'
_symmetry_Int_Tables_Number  181
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z+1/3
  3  -x+y,-x,z+2/3
  4  -x,-y,z
  5  y,-x+y,z+1/3
  6  x-y,x,z+2/3
  7  y,x,-z+1/3
  8  x-y,-y,-z
  9  -x,-x+y,-z+2/3
  10  -y,-x,-z+1/3
  11  -x+y,y,-z
  12  x,x-y,-z+2/3
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
Co4 1.0000000000 0.5000000000 -0.0000000000 0.3741000000  Biso 1.0 Co 6 f
Au1 1.0000000000 0.3163300000 0.0005800000 0.1259300000  Biso 1.0 Au 12 k
C2 1.0000000000 0.2180000000 0.8204000000 0.0532000000  Biso 1.0 C 12 k
C3 1.0000000000 0.3937000000 0.1902000000 0.1951000000  Biso 1.0 C 12 k
N5 1.0000000000 0.1400000000 0.7081000000 0.0172000000  Biso 1.0 N 12 k
N6 1.0000000000 0.4484000000 0.2895000000 0.2361000000  Biso 1.0 N 12 k
