data_[Ba4Cr4Se4O2F4]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2434]
_cell_length_b [4.2434]
_cell_length_c [19.5884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba2Cr2Se2OF2]
_chemical_formula_sum '[Ba4 Cr4 Se4 O2 F4]'
_cell_volume [352.7213]
_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  4  0.0000  0.0000  0.3297  1
  Cr  Cr1  4  0.0000  0.5000  0.0000  1
  Se  Se2  4  0.0000  0.0000  0.0934  1
  O  O3  2  0.0000  0.0000  0.5000  1
  F  F4  4  0.0000  0.5000  0.2500  1
]