data_[La12Zn8Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3774]
_cell_length_b [11.6681]
_cell_length_c [15.0206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3Zn2Ge3]
_chemical_formula_sum '[La12 Zn8 Ge12]'
_cell_volume [767.1812]
_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
[
  La  La0  8  0.0000  0.0714  0.6097  1.0
  La  La1  4  0.0000  0.3545  0.7500  1.0
  Zn  Zn2  8  0.0000  0.2286  0.0955  1.0
  Ge  Ge3  8  0.0000  0.3716  0.5449  1.0
  Ge  Ge4  4  0.0000  0.3537  0.2500  1.0
]