# 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:  KLiO4S H14

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ABC4D_hP14_173_a_b_bc_b-001

# Last updated on 2024/08/01

data_K2Li2O8S2
_pd_phase_name K2Li2O8S2
_cell_length_a  5.1460000000
_cell_length_b  5.1460000000
_cell_length_c  8.6360000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{3}'
_symmetry_Int_Tables_Number  173
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  -x,-y,z+1/2
  5  y,-x+y,z+1/2
  6  x-y,x,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
K1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 K 2 a
Li2 1.0000000000 0.3333300000 0.6666700000 0.3146000000  Biso 1.0 Li 2 b
O3 1.0000000000 0.3333300000 0.6666700000 0.5358000000  Biso 1.0 O 2 b
S5 1.0000000000 0.3333300000 0.6666700000 0.7045000000  Biso 1.0 S 2 b
O4 1.0000000000 0.3446000000 0.4031000000 0.7583000000  Biso 1.0 O 6 c
