data_[Sm6Si6Ni2]
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 [Imm2]
_cell_length_a [3.9836]
_cell_length_b [4.2454]
_cell_length_c [17.8216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sm3Si3Ni]
_chemical_formula_sum '[Sm6 Si6 Ni2]'
_cell_volume [301.3964]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.9995  1.0
  Sm  Sm1  2  0.0000  0.5000  0.3183  1.0
  Sm  Sm2  2  0.0000  0.5000  0.6847  1.0
  Si  Si3  2  0.0000  0.0000  0.5594  1.0
  Si  Si4  2  0.0000  0.5000  0.1411  1.0
  Si  Si5  2  0.0000  0.5000  0.8640  1.0
  Ni  Ni6  2  0.0000  0.0000  0.4329  1.0
]