data_[La4Cu2Ge12]
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 [Amm2]
_cell_length_a [4.2279]
_cell_length_b [4.1750]
_cell_length_c [22.2780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La2CuGe6]
_chemical_formula_sum '[La4 Cu2 Ge12]'
_cell_volume [393.2403]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.3292  1.0
  La  La1  2  0.0000  0.0000  0.9983  1.0
  Cu  Cu2  2  0.5000  0.0000  0.7724  1.0
  Ge  Ge3  2  0.0000  0.0000  0.6054  1.0
  Ge  Ge4  2  0.0000  0.0000  0.7164  1.0
  Ge  Ge5  2  0.5000  0.0000  0.1038  1.0
  Ge  Ge6  2  0.5000  0.0000  0.2154  1.0
  Ge  Ge7  2  0.5000  0.0000  0.4470  1.0
  Ge  Ge8  2  0.5000  0.0000  0.8810  1.0
]