data_[La12Sn4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0137]
_cell_length_b [5.4088]
_cell_length_c [9.3674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3SnGe]
_chemical_formula_sum '[La12 Sn4 Ge4]'
_cell_volume [664.1654]
_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  4  0.0912  0.0000  0.2514  1
  La  La1  4  0.1044  0.5000  0.7798  1
  La  La2  4  0.2489  0.0000  0.7595  1
  Sn  Sn3  4  0.1472  0.5000  0.4807  1
  Ge  Ge4  4  0.1477  0.0000  0.9821  1
]