data_[Ba9Li3Pt24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6419]
_cell_length_b [5.6419]
_cell_length_c [27.3945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3LiPt8]
_chemical_formula_sum '[Ba9 Li3 Pt24]'
_cell_volume [755.1731]
_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  0.3767  1.0
  Ba  Ba1  3  0.0000  0.0000  0.5042  1.0
  Ba  Ba2  3  0.0000  0.0000  0.9946  1.0
  Li  Li3  3  0.0000  0.0000  0.8657  1.0
  Pt  Pt4  9  0.0005  0.5002  0.9366  1.0
  Pt  Pt5  9  0.0022  0.5011  0.4406  1.0
  Pt  Pt6  3  0.0000  0.0000  0.1889  1.0
  Pt  Pt7  3  0.0000  0.0000  0.6884  1.0
]