data_[Tb24Sm2Ni12]
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 [Im-3]
_cell_length_a [9.8830]
_cell_length_b [9.8830]
_cell_length_c [9.8830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Tb12SmNi6]
_chemical_formula_sum '[Tb24 Sm2 Ni12]'
_cell_volume [965.3223]
_cell_formula_units_Z [2]
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  24  0.0000  0.1842  0.3116  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  12  0.0000  0.3763  0.5000  1
]