data_[Sm4Y12Ni4]
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 [C2/m]
_cell_length_a [13.2649]
_cell_length_b [3.6454]
_cell_length_c [11.7923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmY3Ni]
_chemical_formula_sum '[Sm4 Y12 Ni4]'
_cell_volume [568.3855]
_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  0.1671  0.0000  0.9042  1.0
  Y  Y1  4  0.0396  0.0000  0.6383  1.0
  Y  Y2  4  0.0701  0.5000  0.1394  1.0
  Y  Y3  4  0.2271  0.0000  0.3642  1.0
  Ni  Ni4  4  0.0990  0.5000  0.4659  1.0
]