data_[Co4H4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.0544]
_cell_length_b [12.5815]
_cell_length_c [5.0700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CoHF4]
_chemical_formula_sum '[Co4 H4 F16]'
_cell_volume [299.2703]
_cell_formula_units_Z [4]
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  4  0.0000  0.0688  0.2500  1
  H  H1  4  0.0000  0.3300  0.7500  1
  F  F2  8  0.2145  0.9513  0.1361  1
  F  F3  8  0.2352  0.6753  0.2730  1
]