data_[Co3F9]
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 [P321]
_cell_length_a [4.5620]
_cell_length_b [4.5620]
_cell_length_c [6.5490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [150]
_chemical_formula_structural [CoF3]
_chemical_formula_sum '[Co3 F9]'
_cell_volume [118.0378]
_cell_formula_units_Z [3]
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  0.3333  0.6667  0.6554  1
  Co  Co1  1  0.0000  0.0000  0.0000  1
  F  F2  6  0.0138  0.6706  0.8188  1
  F  F3  3  0.0000  0.3308  0.5000  1
]