# 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:  OS2Y2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C2_mP20_14_e_2e_2e-001

# Last updated on 2024/08/01

data_O4S8Y8
_pd_phase_name O4S8Y8
_cell_length_a  11.5778356942
_cell_length_b  6.8852000000
_cell_length_c  6.8533000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  135.3326748679
_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
O1 1.0000000000 0.6163000000 0.0855500000 0.2650000000  Biso 1.0 O 4 e
S2 1.0000000000 0.3193000000 0.1327000000 0.2443000000  Biso 1.0 S 4 e
S3 1.0000000000 0.9240000000 0.2766000000 0.8937000000  Biso 1.0 S 4 e
Y4 1.0000000000 0.4240400000 0.6445100000 0.6031100000  Biso 1.0 Y 4 e
Y5 1.0000000000 0.8620200000 0.5546400000 0.1124500000  Biso 1.0 Y 4 e
