# 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
# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B4C2D12_aP21_2_ai_2i_i_6i-001

# Last updated on 2024/07/14

data_A3B4C2D12_aP21_2_ai_2i_i_6i-001
_pd_phase_name A3B4C2D12_aP21_2_ai_2i_i_6i-001
_cell_length_a  6.1824000000
_cell_length_b  7.6912000000
_cell_length_c  5.4721
_cell_angle_alpha  102.388
_cell_angle_beta  93.074
_cell_angle_gamma  87.579
_symmetry_space_group_name_H-M  'P-1'
_symmetry_Int_Tables_Number  2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,-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
Cu1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Cu 1 a
Cu2 1.0000000000 0.1632000000 0.8231000000 0.4873000000  Biso 1.0 Cu 2 i
Ge3 1.0000000000 0.2209000000 0.3676000000 0.3067000000  Biso 1.0 Ge 2 i
Ge4 1.0000000000 0.3988100000 0.1827800000 0.7614800000  Biso 1.0 Ge 2 i
Na5 1.0000000000 0.2494000000 0.5955000000 0.9174000000  Biso 1.0 Na 2 i
O6  1.0000000000 0.0053000000 0.2246000000 0.2331000000  Biso 1.0 O 2 i
O7  1.0000000000 0.4021000000 0.3184000000 0.0644000000  Biso 1.0 O 2 i
O8  1.0000000000 0.3646000000 0.3493000000 0.5772000000  Biso 1.0 O 2 i
O9  1.0000000000 0.1749000000 0.0550000000 0.7197000000  Biso 1.0 O 2 i
O10 1.0000000000 0.6580000000 0.0965000000 0.7305000000  Biso 1.0 O 2 i
O11 1.0000000000 0.1273000000 0.5843000000 0.2996000000  Biso 1.0 O 2 i
