data_[Sm12Si12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [10.6027]
_cell_length_b [4.2810]
_cell_length_c [13.8354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Si3Ni]
_chemical_formula_sum '[Sm12 Si12 Ni4]'
_cell_volume [586.5991]
_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
[
  Sm  Sm0  4  0.0309  0.5000  0.3809  1
  Sm  Sm1  4  0.1025  0.5000  0.9218  1
  Sm  Sm2  4  0.2494  0.5000  0.2286  1
  Si  Si3  4  0.0511  0.0000  0.2361  1
  Si  Si4  4  0.1097  0.0000  0.0762  1
  Si  Si5  4  0.1413  0.0000  0.5418  1
  Ni  Ni6  4  0.2478  0.0000  0.4025  1
]