data_[Ba3In12Pd3Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6432]
_cell_length_b [4.6432]
_cell_length_c [30.9196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [BaIn4PdPt2]
_chemical_formula_sum '[Ba3 In12 Pd3 Pt6]'
_cell_volume [577.2935]
_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  0.0000  1.0
  In  In1  6  0.0000  0.0000  0.1345  1.0
  In  In2  6  0.0000  0.0000  0.4072  1.0
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt4  6  0.0000  0.0000  0.2284  1.0
]