# 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:  S rosick'yite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A_mP32_13_8g-001

# Last updated on 2024/08/01

data_S32
_pd_phase_name S32
_cell_length_a  8.4550000000
_cell_length_b  13.0520000000
_cell_length_c  9.2670000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  124.8900000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2/c'
_symmetry_Int_Tables_Number  13
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z+1/2
  3  -x,-y,-z
  4  x,-y,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
S1 1.0000000000 0.6485000000 0.3457000000 0.3247000000  Biso 1.0 S 4 g
S2 1.0000000000 0.8110000000 0.5792000000 0.4708000000  Biso 1.0 S 4 g
S3 1.0000000000 0.7446000000 0.4430000000 0.5319000000  Biso 1.0 S 4 g
S4 1.0000000000 0.5836000000 0.6768000000 0.3840000000  Biso 1.0 S 4 g
S5 1.0000000000 0.0799000000 0.7979000000 0.1993000000  Biso 1.0 S 4 g
S6 1.0000000000 0.2427000000 0.0310000000 0.2201000000  Biso 1.0 S 4 g
S7 1.0000000000 0.3074000000 0.8938000000 0.3501000000  Biso 1.0 S 4 g
S8 1.0000000000 0.1483000000 0.1271000000 0.3294000000  Biso 1.0 S 4 g
