data_[K2Sr1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7903]
_cell_length_b [6.4117]
_cell_length_c [7.3860]
_cell_angle_alpha [105.8278]
_cell_angle_beta [103.4738]
_cell_angle_gamma [103.4179]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2SrF6]
_chemical_formula_sum '[K2 Sr1 F6]'
_cell_volume [159.3348]
_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  0.1709  0.3932  0.6986  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.2114  0.3073  0.3214  1.0
  F  F3  2  0.4160  0.0870  0.4478  1.0
  F  F4  2  0.4373  0.7726  0.0519  1.0
]