data_[Ba12Sn8Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [6.5052]
_cell_length_b [9.1984]
_cell_length_c [14.5868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Ba3(SnPt)2]
_chemical_formula_sum '[Ba12 Sn8 Pt8]'
_cell_volume [872.8351]
_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
[
  Ba  Ba0  8  0.1450  0.6067  0.0974  1
  Ba  Ba1  4  0.3405  0.2429  0.7500  1
  Sn  Sn2  4  0.1795  0.5949  0.7500  1
  Sn  Sn3  4  0.3751  0.2500  0.0000  1
  Pt  Pt4  8  0.3914  0.5334  0.5872  1
]