# 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:  KNaO4S belomarinaite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ABC4D_hP14_156_ac_bc_ab2d_ab-001

# Last updated on 2024/08/01

data_K2Na2O8S2
_pd_phase_name K2Na2O8S2
_cell_length_a  5.6066000000
_cell_length_b  5.6066000000
_cell_length_c  7.1770000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P3m1'
_symmetry_Int_Tables_Number  156
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z
  3  -x+y,-x,z
  4  -y,-x,z
  5  -x+y,y,z
  6  x,x-y,z
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
K1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 K 1 a
O5 1.0000000000 0.0000000000 0.0000000000 0.6460000000  Biso 1.0 O 1 a
S9 1.0000000000 0.0000000000 0.0000000000 0.4550000000  Biso 1.0 S 1 a
Na3 1.0000000000 0.3333300000 0.6666700000 0.3800000000  Biso 1.0 Na 1 b
O6 1.0000000000 0.3333300000 0.6666700000 0.7170000000  Biso 1.0 O 1 b
S10 1.0000000000 0.3333300000 0.6666700000 0.9250000000  Biso 1.0 S 1 b
K2 1.0000000000 0.6666700000 0.3333300000 0.6910000000  Biso 1.0 K 1 c
Na4 1.0000000000 0.6666700000 0.3333300000 0.1950000000  Biso 1.0 Na 1 c
O7 1.0000000000 0.8536700000 0.1463300000 0.4010000000  Biso 1.0 O 3 d
O8 1.0000000000 0.4696700000 0.5303300000 0.0050000000  Biso 1.0 O 3 d
