data_[Na12Cu4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4643]
_cell_length_b [8.8652]
_cell_length_c [7.3606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3CuGe]
_chemical_formula_sum '[Na12 Cu4 Ge4]'
_cell_volume [514.0737]
_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  0.2093  0.1991  0.2313  1
  Na  Na1  4  0.0028  0.5000  0.2338  1
  Cu  Cu2  4  0.1313  0.0000  0.5009  1
  Ge  Ge3  4  0.1425  0.0000  0.8347  1
]