# 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:  C4RhSc3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4BC3_mC32_12_2j_i_ghi-002

# Last updated on 2024/08/01

data_C16Rh4Sc12
_pd_phase_name C16Rh4Sc12
_cell_length_a  5.6016000000
_cell_length_b  12.2580000000
_cell_length_c  5.6016000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  106.3696000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/m'
_symmetry_Int_Tables_Number  12
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  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z
  7  -x+1/2,-y+1/2,-z
  8  x+1/2,-y+1/2,z
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
Sc4 1.0000000000 0.0000000000 0.1890000000 0.0000000000  Biso 1.0 Sc 4 g
Sc5 1.0000000000 0.0000000000 0.3101000000 0.5000000000  Biso 1.0 Sc 4 h
Rh3 1.0000000000 0.7333000000 0.0000000000 0.7331000000  Biso 1.0 Rh 4 i
Sc6 1.0000000000 0.2425000000 0.0000000000 0.7575000000  Biso 1.0 Sc 4 i
C1 1.0000000000 0.0814000000 0.3702000000 0.9222000000  Biso 1.0 C 8 j
C2 1.0000000000 0.0796000000 0.1290000000 0.4205000000  Biso 1.0 C 8 j
