data_[La12Cu4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [15.9296]
_cell_length_b [4.2349]
_cell_length_c [8.4155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3CuGe]
_chemical_formula_sum '[La12 Cu4 Ge4]'
_cell_volume [567.7052]
_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  0.0385  0.5000  0.8297  1.0
  La  La1  4  0.1012  0.0000  0.4589  1.0
  La  La2  4  0.2463  0.5000  0.1836  1.0
  Cu  Cu3  4  0.2142  0.5000  0.5649  1.0
  Ge  Ge4  4  0.1089  0.0000  0.0787  1.0
]