data_[Ba4Li4Cr4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  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 [5.3526]
_cell_length_b [9.9129]
_cell_length_c [8.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaLiCrF6]
_chemical_formula_sum '[Ba4 Li4 Cr4 F24]'
_cell_volume [443.3198]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.3138  0.2011  0.4963  1
  Li  Li1  4  0.2239  0.5738  0.6866  1
  Cr  Cr2  4  0.2291  0.5797  0.2638  1
  F  F3  4  0.1023  0.1294  0.1843  1
  F  F4  4  0.1178  0.1053  0.7858  1
  F  F5  4  0.1482  0.5997  0.0417  1
  F  F6  4  0.3289  0.5909  0.4813  1
  F  F7  4  0.3719  0.7441  0.7481  1
  F  F8  4  0.4711  0.0026  0.3152  1
]