data_[Sm12Cu4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4313]
_cell_length_b [6.5722]
_cell_length_c [7.8324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3CuNi]
_chemical_formula_sum '[Sm12 Cu4 Ni4]'
_cell_volume [496.6401]
_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  0.0080  0.0000  0.2400  1
  Sm  Sm1  4  0.1895  0.5000  0.8567  1
  Sm  Sm2  4  0.1906  0.5000  0.3327  1
  Cu  Cu3  4  0.0000  0.3091  0.5000  1
  Ni  Ni4  4  0.0000  0.3089  0.0000  1
]