data_[V1Pt1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  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 [4.9596]
_cell_length_b [5.3705]
_cell_length_c [5.4038]
_cell_angle_alpha [115.3769]
_cell_angle_beta [90.1982]
_cell_angle_gamma [110.7970]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VPtF6]
_chemical_formula_sum '[V1 Pt1 F6]'
_cell_volume [119.4911]
_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
[
  V  V0  1  0.0000  0.0000  0.0000  1.0
  Pt  Pt1  1  0.5000  0.0000  0.5000  1.0
  F  F2  2  0.0093  0.6395  0.8126  1.0
  F  F3  2  0.2346  0.1386  0.7554  1.0
  F  F4  2  0.3678  0.1407  0.2520  1.0
]