data_[Tb8Sm8Pt8]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.9332]
_cell_length_b [13.4391]
_cell_length_c [7.1931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [TbSmPt]
_chemical_formula_sum '[Tb8 Sm8 Pt8]'
_cell_volume [670.2270]
_cell_formula_units_Z [8]
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  8  0.0031  0.0311  0.7610  1
  Sm  Sm1  8  0.1911  0.7000  0.1085  1
  Pt  Pt2  8  0.2246  0.1041  0.4579  1
]