data_[Hf24Co8Hg8]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3430]
_cell_length_b [6.1889]
_cell_length_c [12.6829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf3CoHg]
_chemical_formula_sum '[Hf24 Co8 Hg8]'
_cell_volume [799.6959]
_cell_formula_units_Z [8]
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  8  0.0626  0.1444  0.6000  1
  Hf  Hf1  8  0.1799  0.0964  0.3109  1
  Hf  Hf2  8  0.1891  0.4070  0.9029  1
  Co  Co3  4  0.0000  0.3524  0.7500  1
  Co  Co4  4  0.2500  0.2500  0.5000  1
  Hg  Hg5  8  0.0643  0.3429  0.1135  1
]