data_[La12Nd4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0924]
_cell_length_b [4.5188]
_cell_length_c [9.7659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3NdGe2]
_chemical_formula_sum '[La12 Nd4 Ge8]'
_cell_volume [713.9976]
_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  0.0490  0.0000  0.6997  1.0
  La  La1  4  0.1546  0.5000  0.4719  1.0
  La  La2  4  0.1885  0.5000  0.8859  1.0
  Nd  Nd3  4  0.1149  0.0000  0.1284  1.0
  Ge  Ge4  4  0.0056  0.5000  0.8691  1.0
  Ge  Ge5  4  0.2413  0.0000  0.7229  1.0
]