data_[Ba9Sn3Pt24]
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 [R3m]
_cell_length_a [5.6958]
_cell_length_b [5.6958]
_cell_length_c [27.4119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3SnPt8]
_chemical_formula_sum '[Ba9 Sn3 Pt24]'
_cell_volume [770.1479]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0055  1.0
  Ba  Ba1  3  0.0000  0.0000  0.4969  1.0
  Ba  Ba2  3  0.0000  0.0000  0.6244  1.0
  Sn  Sn3  3  0.0000  0.0000  0.1369  1.0
  Pt  Pt4  9  0.0029  0.5015  0.0630  1.0
  Pt  Pt5  9  0.1676  0.3353  0.8922  1.0
  Pt  Pt6  3  0.0000  0.0000  0.3109  1.0
  Pt  Pt7  3  0.0000  0.0000  0.8097  1.0
]