data_[Hf24Ga12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.6904]
_cell_length_b [10.7115]
_cell_length_c [7.0171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf6Ga3Hg]
_chemical_formula_sum '[Hf24 Ga12 Hg4]'
_cell_volume [803.5313]
_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  0.0000  0.1709  0.5145  1.0
  Hf  Hf1  8  0.1837  0.5000  0.0000  1.0
  Hf  Hf2  8  0.2442  0.2530  0.7500  1.0
  Ga  Ga3  8  0.1222  0.0066  0.2500  1.0
  Ga  Ga4  4  0.0000  0.3764  0.7500  1.0
  Hg  Hg5  4  0.0000  0.3714  0.2500  1.0
]