data_[La4Cu12Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0748]
_cell_length_b [4.0446]
_cell_length_c [7.2097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCu3Si2]
_chemical_formula_sum '[La4 Cu12 Si8]'
_cell_volume [400.7634]
_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  0.1531  0.0000  0.0765  1.0
  Si  Si1  4  0.0200  0.5000  0.1782  1.0
  Cu  Cu2  4  0.0321  0.0000  0.3641  1.0
  Cu  Cu3  4  0.0930  0.5000  0.6676  1.0
  Si  Si4  4  0.1839  0.0000  0.6627  1.0
  Cu  Cu5  4  0.1844  0.5000  0.4462  1.0
]