data_[In2Pt30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [3.9476]
_cell_length_b [3.9484]
_cell_length_c [45.3432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [InPt15]
_chemical_formula_sum '[In2 Pt30]'
_cell_volume [706.7530]
_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  2  0.2500  0.0000  0.8369  1
  Pt  Pt1  2  0.2500  0.0000  0.2133  1
  Pt  Pt2  2  0.2500  0.0000  0.3019  1
  Pt  Pt3  2  0.2500  0.0000  0.3898  1
  Pt  Pt4  2  0.2500  0.0000  0.4780  1
  Pt  Pt5  2  0.2500  0.0000  0.5661  1
  Pt  Pt6  2  0.2500  0.0000  0.6543  1
  Pt  Pt7  2  0.2500  0.0000  0.7417  1
  Pt  Pt8  2  0.2500  0.5000  0.1698  1
  Pt  Pt9  2  0.2500  0.5000  0.2573  1
  Pt  Pt10  2  0.2500  0.5000  0.3459  1
  Pt  Pt11  2  0.2500  0.5000  0.4338  1
  Pt  Pt12  2  0.2500  0.5000  0.5221  1
  Pt  Pt13  2  0.2500  0.5000  0.6102  1
  Pt  Pt14  2  0.2500  0.5000  0.6981  1
  Pt  Pt15  2  0.2500  0.5000  0.7867  1
]