data_[K6Sr2F12]
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 [P2_1/c]
_cell_length_a [6.6918]
_cell_length_b [6.9031]
_cell_length_c [11.0836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3SrF6]
_chemical_formula_sum '[K6 Sr2 F12]'
_cell_volume [412.6319]
_cell_formula_units_Z [2]
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  4  0.2752  0.5551  0.2542  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Sr  Sr2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0779  0.5945  0.7349  1.0
  F  F4  4  0.2861  0.2274  0.5915  1.0
  F  F5  4  0.3545  0.7008  0.5775  1.0
]