data_[Ce28Si20Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [23.3462]
_cell_length_b [4.3382]
_cell_length_c [13.8517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ce7Si5Ni2]
_chemical_formula_sum '[Ce28 Si20 Ni8]'
_cell_volume [1402.9107]
_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  0.0195  0.2500  0.6156  1
  Ce  Ce1  4  0.0682  0.2500  0.0433  1
  Ce  Ce2  4  0.1032  0.7500  0.8081  1
  Ce  Ce3  4  0.1184  0.7500  0.2502  1
  Ce  Ce4  4  0.1327  0.7500  0.5255  1
  Ce  Ce5  4  0.2254  0.2500  0.9000  1
  Ce  Ce6  4  0.2375  0.2500  0.1660  1
  Si  Si7  4  0.0054  0.2500  0.8406  1
  Si  Si8  4  0.0732  0.2500  0.3939  1
  Si  Si9  4  0.1652  0.2500  0.6808  1
  Si  Si10  4  0.1676  0.7500  0.0335  1
  Si  Si11  4  0.1788  0.2500  0.3796  1
  Ni  Ni12  4  0.0201  0.2500  0.2434  1
  Ni  Ni13  4  0.2273  0.2500  0.5323  1
]