# 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

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A_mP64_14_16e-002

# Last updated on 2024/08/02

data_S64
_pd_phase_name S64
_cell_length_a  16.1282417916
_cell_length_b  10.8550000000
_cell_length_c  10.7900000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  137.6364628065
_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
S10 1.0000000000 0.9495000000 0.9290000000 0.7456000000  Biso 1.0 S 4 e
S1 1.0000000000 0.7667000000 0.5251000000 0.7368000000  Biso 1.0 S 4 e
S11 1.0000000000 0.9926000000 0.1125000000 0.8046000000  Biso 1.0 S 4 e
S12 1.0000000000 0.1553000000 0.1273000000 0.0763000000  Biso 1.0 S 4 e
S13 1.0000000000 0.1199000000 0.1709000000 0.2180000000  Biso 1.0 S 4 e
S14 1.0000000000 0.1266000000 0.0105000000 0.3232000000  Biso 1.0 S 4 e
S15 1.0000000000 0.9490000000 0.9534000000 0.1520000000  Biso 1.0 S 4 e
S16 1.0000000000 0.9101000000 0.8178000000 0.9844000000  Biso 1.0 S 4 e
S2 1.0000000000 0.8462000000 0.3555000000 0.8392000000  Biso 1.0 S 4 e
S3 1.0000000000 0.7428000000 0.2523000000 0.8450000000  Biso 1.0 S 4 e
S4 1.0000000000 0.6280000000 0.1439000000 0.6146000000  Biso 1.0 S 4 e
S5 1.0000000000 0.4602000000 0.2283000000 0.4221000000  Biso 1.0 S 4 e
S6 1.0000000000 0.4469000000 0.3154000000 0.2394000000  Biso 1.0 S 4 e
S7 1.0000000000 0.4867000000 0.4979000000 0.3087000000  Biso 1.0 S 4 e
S8 1.0000000000 0.6683000000 0.5246000000 0.4660000000  Biso 1.0 S 4 e
S9 1.0000000000 0.8217000000 0.8917000000 0.7394000000  Biso 1.0 S 4 e
