data_[Ba2Cr2Co2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.7237]
_cell_length_b [9.4374]
_cell_length_c [5.6018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaCrCoF6]
_chemical_formula_sum '[Ba2 Cr2 Co2 F12]'
_cell_volume [302.4497]
_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
[
  Ba  Ba0  2  0.0000  0.9927  0.0000  1
  Cr  Cr1  2  0.0000  0.6650  0.5000  1
  Co  Co2  2  0.0000  0.3284  0.5000  1
  F  F3  4  0.1349  0.5004  0.6978  1
  F  F4  4  0.1627  0.1912  0.7260  1
  F  F5  4  0.1874  0.8157  0.6891  1
]