data_[Co12Hg4]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4005]
_cell_length_b [5.4005]
_cell_length_c [8.5554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Co3Hg]
_chemical_formula_sum '[Co12 Hg4]'
_cell_volume [216.0960]
_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  6  0.0000  0.5000  0.0000  1
  Co  Co1  6  0.1845  0.3690  0.7500  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.3333  0.6667  0.2500  1
]