data_[Co1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0387]
_cell_length_b [5.6144]
_cell_length_c [6.7663]
_cell_angle_alpha [98.4470]
_cell_angle_beta [100.3214]
_cell_angle_gamma [105.0607]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CoF6]
_chemical_formula_sum '[Co1 F6]'
_cell_volume [107.3715]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  F  F1  2  0.0719  0.2509  0.8805  1.0
  F  F2  2  0.3167  0.8532  0.8286  1.0
  F  F3  2  0.4752  0.4107  0.5647  1.0
]