data_[Sc1Pt1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [5.2570]
_cell_length_b [5.2849]
_cell_length_c [5.6251]
_cell_angle_alpha [62.8992]
_cell_angle_beta [89.6848]
_cell_angle_gamma [61.5699]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ScPtF6]
_chemical_formula_sum '[Sc1 Pt1 F6]'
_cell_volume [117.7997]
_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
[
  Sc  Sc0  1  0.0000  0.0000  0.0000  1.0
  Pt  Pt1  1  0.5000  0.0000  0.5000  1.0
  F  F2  2  0.1027  0.5317  0.2329  1.0
  F  F3  2  0.2610  0.8643  0.7517  1.0
  F  F4  2  0.3740  0.8770  0.2543  1.0
]