data_[Ce4Cu12Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [14.9045]
_cell_length_b [3.9666]
_cell_length_c [7.1191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCu3Si2]
_chemical_formula_sum '[Ce4 Cu12 Si8]'
_cell_volume [380.5461]
_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
[
  Ce  Ce0  4  0.1502  0.0000  0.0723  1
  Si  Si1  4  0.0197  0.5000  0.1774  1
  Cu  Cu2  4  0.0360  0.0000  0.3708  1
  Cu  Cu3  4  0.0969  0.5000  0.6778  1
  Cu  Cu4  4  0.1856  0.5000  0.4485  1
  Si  Si5  4  0.1903  0.0000  0.6817  1
]