# 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:  CdLi2O4Si

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C4D_oP32_62_c_d_2cd_c-001

# Last updated on 2024/08/01

data_Cd4Li8O16Si4
_pd_phase_name Cd4Li8O16Si4
_cell_length_a  10.7150000000
_cell_length_b  6.4790000000
_cell_length_c  5.1190000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pnma'
_symmetry_Int_Tables_Number  62
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z
  4  x+1/2,-y+1/2,-z+1/2
  5  -x,-y,-z
  6  x+1/2,y,-z+1/2
  7  x,-y+1/2,z
  8  -x+1/2,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
Cd1 1.0000000000 0.3373100000 0.2500000000 0.3255000000  Biso 1.0 Cd 4 c
O3 1.0000000000 0.1465000000 0.2500000000 0.1495000000  Biso 1.0 O 4 c
O4 1.0000000000 0.3071000000 0.2500000000 0.7549000000  Biso 1.0 O 4 c
Si6 1.0000000000 0.1573000000 0.2500000000 0.8324000000  Biso 1.0 Si 4 c
Li2 1.0000000000 0.4100000000 0.5010000000 0.8270000000  Biso 1.0 Li 8 d
O5 1.0000000000 0.5896000000 0.0466000000 0.7890000000  Biso 1.0 O 8 d
