data_[K3Cr1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1338]
_cell_length_b [6.1413]
_cell_length_c [6.2550]
_cell_angle_alpha [61.8780]
_cell_angle_beta [61.6516]
_cell_angle_gamma [61.8106]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3CrF6]
_chemical_formula_sum '[K3 Cr1 F6]'
_cell_volume [173.2545]
_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
[
  K  K0  2  0.2514  0.2385  0.2341  1.0
  K  K1  1  0.5000  0.5000  0.5000  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1282  0.2988  0.8244  1.0
  F  F4  2  0.2223  0.8771  0.7015  1.0
  F  F5  2  0.2856  0.7967  0.1464  1.0
]