data_[Ce4Si6Ni4]
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 [C2/m]
_cell_length_a [9.8088]
_cell_length_b [4.0587]
_cell_length_c [6.3843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Si3Ni2]
_chemical_formula_sum '[Ce4 Si6 Ni4]'
_cell_volume [236.2808]
_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  0.1559  0.0000  0.7939  1
  Si  Si1  4  0.1035  0.5000  0.4356  1
  Si  Si2  2  0.0000  0.5000  0.0000  1
  Ni  Ni3  4  0.1440  0.0000  0.2796  1
]