data_[Sm4Si4Ni4]
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 [P2_1/c]
_cell_length_a [5.8723]
_cell_length_b [6.0078]
_cell_length_c [7.3115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmSiNi]
_chemical_formula_sum '[Sm4 Si4 Ni4]'
_cell_volume [224.5815]
_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  0.1988  0.6381  0.3929  1
  Si  Si1  4  0.2658  0.1454  0.5678  1
  Ni  Ni2  4  0.3835  0.0939  0.3165  1
]