data_[K4P2Cl2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9832]
_cell_length_b [5.1165]
_cell_length_c [7.7474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2PClF6]
_chemical_formula_sum '[K4 P2 Cl2 F12]'
_cell_volume [360.8304]
_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  0.2119  0.5000  0.1954  1.0
  P  P1  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.1019  0.2735  0.4649  1.0
  F  F4  4  0.1080  0.5000  0.7297  1.0
]