data_[Ce10Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6952]
_cell_length_b [4.4147]
_cell_length_c [9.8962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5Si4]
_chemical_formula_sum '[Ce10 Si8]'
_cell_volume [425.5826]
_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
[
  Ce  Ce0  4  0.1051  0.0000  0.3954  1
  Ce  Ce1  4  0.2428  0.5000  0.1617  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Si  Si3  4  0.0504  0.5000  0.8258  1
  Si  Si4  4  0.1120  0.5000  0.6127  1
]