data_[Co2O4F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4875]
_cell_length_b [3.7844]
_cell_length_c [2.9703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoO2F3]
_chemical_formula_sum '[Co2 O4 F6]'
_cell_volume [171.8251]
_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
[
  Co  Co0  2  0.0000  0.0000  0.5000  1
  O  O1  4  0.2278  0.5000  0.1433  1
  F  F2  4  0.0831  0.0000  0.0694  1
  F  F3  2  0.0000  0.5000  0.5000  1
]