data_[In1Pt1F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2110]
_cell_length_b [5.2520]
_cell_length_c [5.6870]
_cell_angle_alpha [89.6498]
_cell_angle_beta [63.2323]
_cell_angle_gamma [62.0803]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InPtF6]
_chemical_formula_sum '[In1 Pt1 F6]'
_cell_volume [118.5818]
_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  0.0000  0.5000  0.5000  1.0
  Pt  Pt1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1396  0.1009  0.2449  1.0
  F  F3  2  0.1565  0.2356  0.7551  1.0
  F  F4  2  0.4811  0.4103  0.2614  1.0
]