data_[In24Ga4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.5043]
_cell_length_b [18.2174]
_cell_length_c [6.4672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In6GaHg3]
_chemical_formula_sum '[In24 Ga4 Hg12]'
_cell_volume [1119.7614]
_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
[
  In  In0  8  0.1647  0.2822  0.6922  1.0
  In  In1  8  0.1658  0.4777  0.6923  1.0
  In  In2  4  0.0000  0.0366  0.1915  1.0
  In  In3  4  0.0000  0.2324  0.2168  1.0
  Ga  Ga4  4  0.0000  0.1308  0.5628  1.0
  Hg  Hg5  8  0.2066  0.8767  0.3594  1.0
  Hg  Hg6  4  0.0000  0.3825  0.0268  1.0
]