data_[In24Sn4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.1490]
_cell_length_b [17.1257]
_cell_length_c [5.7457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In6SnHg3]
_chemical_formula_sum '[In24 Sn4 Hg12]'
_cell_volume [1097.0596]
_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  0.1737  0.4498  0.4601  1
  In  In1  8  0.2358  0.2097  0.1647  1
  In  In2  4  0.0000  0.0614  0.0975  1
  In  In3  4  0.0000  0.3058  0.3376  1
  Sn  Sn4  4  0.0000  0.2223  0.8209  1
  Hg  Hg5  8  0.1592  0.0947  0.5537  1
  Hg  Hg6  4  0.0000  0.4100  0.9015  1
]