data_[Ce3Sm1Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0626]
_cell_length_b [5.0626]
_cell_length_c [8.4524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ce3SmNi8]
_chemical_formula_sum '[Ce3 Sm1 Ni8]'
_cell_volume [187.6146]
_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  0.9435  1
  Ce  Ce1  1  0.6667  0.3333  0.0513  1
  Ce  Ce2  1  0.6667  0.3333  0.4353  1
  Sm  Sm3  1  0.0000  0.0000  0.5629  1
  Ni  Ni4  3  0.0077  0.5038  0.7511  1
  Ni  Ni5  3  0.1701  0.3402  0.2503  1
  Ni  Ni6  1  0.3333  0.6667  0.0033  1
  Ni  Ni7  1  0.3333  0.6667  0.4995  1
]