data_[Na12Zn4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1112]
_cell_length_b [8.7991]
_cell_length_c [7.6571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3ZnGe]
_chemical_formula_sum '[Na12 Zn4 Ge4]'
_cell_volume [551.1606]
_cell_formula_units_Z [4]
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  8  0.2163  0.1993  0.2375  1
  Na  Na1  4  0.0142  0.5000  0.2434  1
  Zn  Zn2  4  0.1632  0.0000  0.8625  1
  Ge  Ge3  4  0.1220  0.0000  0.4835  1
]