data_[Hf24In12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.8718]
_cell_length_b [15.1478]
_cell_length_c [6.9454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Hf6In3Hg]
_chemical_formula_sum '[Hf24 In12 Hg4]'
_cell_volume [933.3814]
_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
[
  Hf  Hf0  8  0.1888  0.4211  0.4132  1
  Hf  Hf1  8  0.1931  0.2277  0.1700  1
  Hf  Hf2  4  0.0000  0.0431  0.1808  1
  Hf  Hf3  4  0.0000  0.2628  0.5015  1
  In  In4  8  0.1985  0.0989  0.5070  1
  In  In5  4  0.0000  0.4082  0.7986  1
  Hg  Hg6  4  0.0000  0.1650  0.8533  1
]