data_[Na12Ge2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.8725]
_cell_length_b [9.8725]
_cell_length_c [6.5279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Na6GeAs4]
_chemical_formula_sum '[Na12 Ge2 As8]'
_cell_volume [551.0070]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Na  Na0  6  0.0276  0.5138  0.8552  1
  Na  Na1  6  0.1527  0.3054  0.5978  1
  Ge  Ge2  2  0.3333  0.6667  0.2106  1
  As  As3  6  0.1928  0.3856  0.1161  1
  As  As4  2  0.3333  0.6667  0.5897  1
]