data_[K4Ba2Cr2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3169]
_cell_length_b [6.6899]
_cell_length_c [10.8345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2BaCrF6]
_chemical_formula_sum '[K4 Ba2 Cr2 F12]'
_cell_volume [375.1326]
_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  0.2767  0.5518  0.7617  1.0
  Ba  Ba1  2  0.5000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1112  0.5567  0.2171  1.0
  F  F4  4  0.2685  0.2156  0.0811  1.0
  F  F5  4  0.3056  0.6743  0.0365  1.0
]