data_[Na12Mg4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8683]
_cell_length_b [7.0593]
_cell_length_c [6.5900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3MgGe]
_chemical_formula_sum '[Na12 Mg4 Ge4]'
_cell_volume [632.6773]
_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  4  0.0000  0.2405  0.5000  1
  Na  Na1  4  0.2148  0.5000  0.5428  1
  Na  Na2  2  0.0000  0.0000  0.0000  1
  Na  Na3  2  0.0000  0.5000  0.0000  1
  Mg  Mg4  4  0.2500  0.2500  0.0000  1
  Ge  Ge5  4  0.1534  0.0000  0.7476  1
]