# 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

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B7C2_tP88_78_4a_14a_4a-001

# Last updated on 2024/08/01

data_As16O56Sr16
_pd_phase_name As16O56Sr16
_cell_length_a  7.1088964505
_cell_length_b  7.1088964505
_cell_length_c  25.6159872097
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P4_{3}'
_symmetry_Int_Tables_Number  78
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z+1/2
  3  -y,x,z+3/4
  4  y,-x,z+1/4
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
As1 1.0000000000 0.1456100000 0.2341400000 0.6969600000  Biso 1.0 As 4 a
As2 1.0000000000 0.2205700000 0.4827600000 0.7988500000  Biso 1.0 As 4 a
As3 1.0000000000 0.1867300000 0.1052500000 0.2912400000  Biso 1.0 As 4 a
As4 1.0000000000 0.2490600000 0.3544300000 0.1900100000  Biso 1.0 As 4 a
O10 1.0000000000 0.0777000000 0.3681000000 0.7514000000  Biso 1.0 O 4 a
O11 1.0000000000 0.2725000000 0.3751000000 0.6589800000  Biso 1.0 O 4 a
O12 1.0000000000 0.0556000000 0.3427000000 0.0205100000  Biso 1.0 O 4 a
O13 1.0000000000 0.3251000000 0.3037000000 0.5204700000  Biso 1.0 O 4 a
O14 1.0000000000 0.4811000000 0.0546000000 0.5933400000  Biso 1.0 O 4 a
O15 1.0000000000 0.0026000000 0.0009000000 0.3163200000  Biso 1.0 O 4 a
O16 1.0000000000 0.3813000000 0.3334000000 0.8211500000  Biso 1.0 O 4 a
O17 1.0000000000 0.2817000000 0.0576000000 0.7177600000  Biso 1.0 O 4 a
O18 1.0000000000 0.1680000000 0.0503000000 0.9181900000  Biso 1.0 O 4 a
O5 1.0000000000 0.4586000000 0.3299000000 0.0287600000  Biso 1.0 O 4 a
O6 1.0000000000 0.0936000000 0.3899000000 0.1424000000  Biso 1.0 O 4 a
O7 1.0000000000 0.4187000000 0.2147000000 0.1673900000  Biso 1.0 O 4 a
O8 1.0000000000 0.1085000000 0.2261000000 0.2344900000  Biso 1.0 O 4 a
O9 1.0000000000 0.2999000000 0.2626000000 0.3278200000  Biso 1.0 O 4 a
Sr19 1.0000000000 0.2643400000 0.2268700000 0.4263800000  Biso 1.0 Sr 4 a
Sr20 1.0000000000 0.0270100000 0.3482200000 0.5731800000  Biso 1.0 Sr 4 a
Sr21 1.0000000000 0.1540800000 0.3958400000 0.9286500000  Biso 1.0 Sr 4 a
Sr22 1.0000000000 0.3746900000 0.2576900000 0.0646400000  Biso 1.0 Sr 4 a
