data_[Ce8Cu4Si8]
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 [10.7396]
_cell_length_b [4.1350]
_cell_length_c [10.6376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2CuSi2]
_chemical_formula_sum '[Ce8 Cu4 Si8]'
_cell_volume [410.1102]
_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  0.0713  0.0000  0.3540  1.0
  Ce  Ce1  4  0.2111  0.0000  0.0684  1.0
  Si  Si2  4  0.0180  0.5000  0.1215  1.0
  Si  Si3  4  0.1220  0.5000  0.5934  1.0
  Cu  Cu4  4  0.2353  0.0000  0.6964  1.0
]