# 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:  K3SnTe3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ A3BC3_mP28_14_3e_e_3e-001

# Last updated on 2024/08/06

data_K3SnTe3
_pd_phase_name K3SnTe3
_cell_length_a  9.5900000000
_cell_length_b  13.6540000000
_cell_length_c  9.6059999982
_cell_angle_alpha  90.0000000000
_cell_angle_beta  116.8400000300
_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
K1  1.0000000000 0.9452000000 0.2819000000 0.7967000000  Biso 1.0 K  4 e
K2  1.0000000000 0.7238000000 0.9346000000 0.2071000000  Biso 1.0 K  4 e
K3  1.0000000000 0.4982000000 0.3431000000 0.0109000000  Biso 1.0 K  4 e
Sn4 1.0000000000 0.1526000000 0.0080000000 0.1222000000  Biso 1.0 Sn 4 e
Te5 1.0000000000 0.1447000000 0.9752000000 0.3988000000  Biso 1.0 Te 4 e
Te6 1.0000000000 0.2603000000 0.1921000000 0.1177000000  Biso 1.0 Te 4 e
Te7 1.0000000000 0.3283000000 0.8671000000 0.0748000000  Biso 1.0 Te 4 e
