data_[Ce6Co2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6672]
_cell_length_b [6.1652]
_cell_length_c [9.6545]
_cell_angle_alpha [101.0443]
_cell_angle_beta [100.3576]
_cell_angle_gamma [90.8272]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce3CoNi]
_chemical_formula_sum '[Ce6 Co2 Ni2]'
_cell_volume [210.4735]
_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  2  0.1316  0.5508  0.7594  1
  Ce  Ce1  2  0.3239  0.9094  0.1505  1
  Ce  Ce2  2  0.3989  0.7238  0.4750  1
  Co  Co3  2  0.0827  0.9973  0.6495  1
  Ni  Ni4  2  0.2599  0.3604  0.0277  1
]