data_[Cs2K2V2F12]
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
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3935]
_cell_length_b [6.1361]
_cell_length_c [5.2314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsKVF6]
_chemical_formula_sum '[Cs2 K2 V2 F12]'
_cell_volume [333.6193]
_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  0.4929  0.5000  0.8813  1
  K  K1  2  0.1628  0.5000  0.3502  1
  V  V2  2  0.3324  0.0000  0.5392  1
  F  F3  4  0.2500  0.2230  0.7288  1
  F  F4  4  0.4159  0.2240  0.3478  1
  F  F5  2  0.1916  0.0000  0.3188  1
  F  F6  2  0.4747  0.0000  0.7575  1
]