data_[In2B1H1Pt6]
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
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6897]
_cell_length_b [5.7083]
_cell_length_c [5.7544]
_cell_angle_alpha [64.0051]
_cell_angle_beta [75.1096]
_cell_angle_gamma [62.3787]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In2BHPt6]
_chemical_formula_sum '[In2 B1 H1 Pt6]'
_cell_volume [148.4995]
_cell_formula_units_Z [1]
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  1  0.2422  0.2344  0.2881  1.0
  In  In1  1  0.7750  0.7747  0.6839  1.0
  B  B2  1  0.9953  0.0060  0.9927  1.0
  H  H3  1  0.4383  0.4618  0.6182  1.0
  Pt  Pt4  1  0.2405  0.7211  0.3067  1.0
  Pt  Pt5  1  0.2631  0.7062  0.8101  1.0
  Pt  Pt6  1  0.2881  0.1911  0.7972  1.0
  Pt  Pt7  1  0.7245  0.8057  0.1942  1.0
  Pt  Pt8  1  0.7412  0.3190  0.1555  1.0
  Pt  Pt9  1  0.7928  0.2840  0.6474  1.0
]