# 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:  CdP14Sn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB14C_oP64_62_c_4c5d_c-001

# Last updated on 2024/08/01

data_Cd4P56Sn4
_pd_phase_name Cd4P56Sn4
_cell_length_a  12.8170000000
_cell_length_b  9.8260000000
_cell_length_c  10.7750000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pnma'
_symmetry_Int_Tables_Number  62
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z
  4  x+1/2,-y+1/2,-z+1/2
  5  -x,-y,-z
  6  x+1/2,y,-z+1/2
  7  x,-y+1/2,z
  8  -x+1/2,y+1/2,z+1/2
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
Cd1 1.0000000000 0.1832000000 0.2500000000 0.0048000000  Biso 1.0 Cd 4 c
P2 1.0000000000 0.0305000000 0.2500000000 0.8372000000  Biso 1.0 P 4 c
P3 1.0000000000 0.4442000000 0.2500000000 0.2206000000  Biso 1.0 P 4 c
P4 1.0000000000 0.0857000000 0.2500000000 0.4007000000  Biso 1.0 P 4 c
P5 1.0000000000 0.3314000000 0.2500000000 0.8477000000  Biso 1.0 P 4 c
Sn11 1.0000000000 0.3294000000 0.2500000000 0.5989000000  Biso 1.0 Sn 4 c
P10 1.0000000000 0.1395000000 0.0433000000 0.1393000000  Biso 1.0 P 8 d
P6 1.0000000000 0.4700000000 0.0752000000 0.3479000000  Biso 1.0 P 8 d
P7 1.0000000000 0.0685000000 0.0824000000 0.7099000000  Biso 1.0 P 8 d
P8 1.0000000000 0.4256000000 0.0804000000 0.9176000000  Biso 1.0 P 8 d
P9 1.0000000000 0.1789000000 0.0756000000 0.3341000000  Biso 1.0 P 8 d
