data_[Ce2Si3Ni1]
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 [Pmm2]
_cell_length_a [4.0425]
_cell_length_b [4.1176]
_cell_length_c [6.9520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce2Si3Ni]
_chemical_formula_sum '[Ce2 Si3 Ni1]'
_cell_volume [115.7173]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5007  1
  Ce  Ce1  1  0.5000  0.0000  0.9987  1
  Si  Si2  1  0.0000  0.5000  0.1640  1
  Si  Si3  1  0.0000  0.5000  0.8238  1
  Si  Si4  1  0.5000  0.5000  0.3433  1
  Ni  Ni5  1  0.5000  0.5000  0.6695  1
]