data_[Cs2K2P2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1782]
_cell_length_b [5.6544]
_cell_length_c [5.3390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsKPF6]
_chemical_formula_sum '[Cs2 K2 P2 F12]'
_cell_volume [336.4390]
_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
[
  Cs  Cs0  2  0.4804  0.5000  0.8930  1
  K  K1  2  0.3171  0.0000  0.3556  1
  P  P2  2  0.1654  0.5000  0.5384  1
  F  F3  4  0.1044  0.2819  0.3382  1
  F  F4  4  0.2206  0.2770  0.7481  1
  F  F5  2  0.0377  0.5000  0.6810  1
  F  F6  2  0.3485  0.5000  0.3596  1
]