data_[La12Cu4Ge8]
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 [Pnma]
_cell_length_a [12.1374]
_cell_length_b [4.3821]
_cell_length_c [12.0836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [La3CuGe2]
_chemical_formula_sum '[La12 Cu4 Ge8]'
_cell_volume [642.6916]
_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  0.0573  0.2500  0.3758  1
  La  La1  4  0.1231  0.7500  0.9387  1
  La  La2  4  0.2079  0.2500  0.6954  1
  Cu  Cu3  4  0.1294  0.2500  0.1302  1
  Ge  Ge4  4  0.0265  0.7500  0.1826  1
  Ge  Ge5  4  0.1936  0.7500  0.5060  1
]