data_[In6B4Pt18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7320]
_cell_length_b [5.7320]
_cell_length_c [15.5866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [In3B2Pt9]
_chemical_formula_sum '[In6 B4 Pt18]'
_cell_volume [443.4961]
_cell_formula_units_Z [2]
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
[
  In  In0  4  0.3333  0.6667  0.4170  1
  In  In1  2  0.0000  0.0000  0.2500  1
  B  B2  4  0.3333  0.6667  0.6594  1
  Pt  Pt3  12  0.1643  0.3286  0.5776  1
  Pt  Pt4  6  0.0051  0.5026  0.2500  1
]