data_[In24Sn4Hg10]
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 [C2/m]
_cell_length_a [16.1397]
_cell_length_b [9.6001]
_cell_length_c [7.7523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In12Sn2Hg5]
_chemical_formula_sum '[In24 Sn4 Hg10]'
_cell_volume [1076.6024]
_cell_formula_units_Z [2]
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  0.0853  0.3079  0.4493  1.0
  In  In1  8  0.2190  0.2516  0.1837  1.0
  In  In2  4  0.0719  0.0000  0.2007  1.0
  In  In3  4  0.1113  0.5000  0.8261  1.0
  Sn  Sn4  4  0.0000  0.3269  0.0000  1.0
  Hg  Hg5  4  0.1643  0.0000  0.8915  1.0
  Hg  Hg6  4  0.2410  0.5000  0.4521  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]