# 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:  GeNa

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB_mP32_14_4e_4e-003

# Last updated on 2024/08/01

data_Ge16Na16
_pd_phase_name Ge16Na16
_cell_length_a  12.3300000000
_cell_length_b  6.7000000000
_cell_length_c  11.4200000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  119.9000000000
_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
Ge1 1.0000000000 0.8070000000 0.9760000000 0.6550000000  Biso 1.0 Ge 4 e
Ge2 1.0000000000 0.6770000000 0.9610000000 0.7750000000  Biso 1.0 Ge 4 e
Ge3 1.0000000000 0.6750000000 0.2790000000 0.6500000000  Biso 1.0 Ge 4 e
Ge4 1.0000000000 0.8730000000 0.1850000000 0.8660000000  Biso 1.0 Ge 4 e
Na5 1.0000000000 0.9030000000 0.4350000000 0.6350000000  Biso 1.0 Na 4 e
Na6 1.0000000000 0.6070000000 0.3540000000 0.8670000000  Biso 1.0 Na 4 e
Na7 1.0000000000 0.6030000000 0.6790000000 0.5070000000  Biso 1.0 Na 4 e
Na8 1.0000000000 0.8580000000 0.6350000000 0.9070000000  Biso 1.0 Na 4 e
