data_[Sm4Y4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5083]
_cell_length_b [3.6202]
_cell_length_c [6.8378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SmYNi]
_chemical_formula_sum '[Sm4 Y4 Ni4]'
_cell_volume [309.3984]
_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  2  0.0578  0.5000  0.6788  1
  Sm  Sm1  2  0.2981  0.0000  0.6869  1
  Y  Y2  2  0.2541  0.0000  0.1671  1
  Y  Y3  2  0.4944  0.5000  0.1777  1
  Ni  Ni4  2  0.1633  0.5000  0.3681  1
  Ni  Ni5  2  0.3887  0.5000  0.4792  1
]