data_[Hf2Co2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1568]
_cell_length_b [8.8338]
_cell_length_c [5.1577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfCoF6]
_chemical_formula_sum '[Hf2 Co2 F12]'
_cell_volume [229.0251]
_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
[
  Hf  Hf0  2  0.0000  0.5000  0.5000  1.0
  Co  Co1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.2431  0.3536  0.7395  1.0
  F  F3  4  0.2468  0.5000  0.2489  1.0
]