data_[Co12Hg8F38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [9.4169]
_cell_length_b [9.4169]
_cell_length_c [9.4169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Co6Hg4F19]
_chemical_formula_sum '[Co12 Hg8 F38]'
_cell_volume [835.0680]
_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  12  0.0000  0.1625  0.5000  1
  Hg  Hg1  8  0.1475  0.1475  0.1475  1
  F  F2  24  0.0403  0.7121  0.6726  1
  F  F3  12  0.0000  0.0000  0.3500  1
  F  F4  2  0.0000  0.0000  0.0000  1
]