# 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:  Li3Zn2SbO6

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B6CD2_mC24_12_ag_ij_c_h-001

# Last updated on 2024/08/01

data_Li6O12Sb2Zn4
_pd_phase_name Li6O12Sb2Zn4
_cell_length_a  5.2520000000
_cell_length_b  9.0260000000
_cell_length_c  8.5838200000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  145.3855000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/m'
_symmetry_Int_Tables_Number  12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z
  3  -x,-y,-z
  4  x,-y,z
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z
  7  -x+1/2,-y+1/2,-z
  8  x+1/2,-y+1/2,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
Li1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Li 2 a
Sb5 1.0000000000 0.0000000000 0.0000000000 0.5000000000  Biso 1.0 Sb 2 c
Li2 1.0000000000 0.0000000000 0.6700000000 0.0000000000  Biso 1.0 Li 4 g
Zn6 1.0000000000 0.0000000000 0.3330000000 0.5000000000  Biso 1.0 Zn 4 h
O3  1.0000000000 0.9850000000 0.0000000000 0.7260000000  Biso 1.0 O  4 i
O4  1.0000000000 0.4720000000 0.1570000000 0.7340000000  Biso 1.0 O  8 j
