# 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:  GaPS4

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ABC4_mP24_14_e_e_4e-002

# Last updated on 2024/08/01

data_Ga4P4S16
_pd_phase_name Ga4P4S16
_cell_length_a  8.6030000000
_cell_length_b  7.7780000000
_cell_length_c  11.8580000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  135.4600000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-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
Ga1 1.0000000000 0.6240000000 0.5369000000 0.2354000000  Biso 1.0 Ga 4 e
P2 1.0000000000 0.3586000000 0.2590000000 0.0130000000  Biso 1.0 P 4 e
S3 1.0000000000 0.2241000000 0.0401000000 0.0103000000  Biso 1.0 S 4 e
S4 1.0000000000 0.2516000000 0.4795000000 0.0297000000  Biso 1.0 S 4 e
S5 1.0000000000 0.6976000000 0.2683000000 0.2048000000  Biso 1.0 S 4 e
S6 1.0000000000 0.7484000000 0.7732000000 0.2078000000  Biso 1.0 S 4 e
