# 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:  O10S2Sr

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A10B2C_hP39_172_5c_c_a-001

# Last updated on 2024/08/01
data_O30S6Sr3
_pd_phase_name O30S6Sr3
_cell_length_a  6.3200000000
_cell_length_b  6.3200000000
_cell_length_c  19.2900000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{4}'
_symmetry_Int_Tables_Number  172
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z+1/3
  3  -x+y,-x,z+2/3
  4  -x,-y,z
  5  y,-x+y,z+1/3
  6  x-y,x,z+2/3
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
Sr7 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Sr 3 a
O1 1.0000000000 0.9960000000 0.2530000000 0.7636700000  Biso 1.0 O 6 c
O2 1.0000000000 0.0150000000 0.2480000000 0.8896600000  Biso 1.0 O 6 c
O3 1.0000000000 0.6810000000 0.1920000000 0.8326700000  Biso 1.0 O 6 c
O4 1.0000000000 0.4480000000 0.1880000000 0.7046700000  Biso 1.0 O 6 c
O5 1.0000000000 0.4490000000 0.2500000000 0.9520000000  Biso 1.0 O 6 c
S6 1.0000000000 0.3730000000 0.0650000000 0.4953300000  Biso 1.0 S 6 c
