data_[Tb12Sm4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1840]
_cell_length_b [3.6363]
_cell_length_c [11.7315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3SmNi]
_chemical_formula_sum '[Tb12 Sm4 Ni4]'
_cell_volume [561.0902]
_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
[
  Tb  Tb0  4  0.0398  0.0000  0.6379  1.0
  Tb  Tb1  4  0.0705  0.5000  0.1402  1.0
  Tb  Tb2  4  0.2269  0.0000  0.3639  1.0
  Sm  Sm3  4  0.1670  0.0000  0.9040  1.0
  Ni  Ni4  4  0.0989  0.5000  0.4648  1.0
]