data_[In4Sn4Hg20Pb8]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5679]
_cell_length_b [18.1446]
_cell_length_c [12.3452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InSnHg5Pb2]
_chemical_formula_sum '[In4 Sn4 Hg20 Pb8]'
_cell_volume [1023.2009]
_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  4  0.0000  0.2022  0.0019  1
  Sn  Sn1  4  0.0000  0.4386  0.4062  1
  Hg  Hg2  4  0.0000  0.0281  0.0562  1
  Hg  Hg3  4  0.0000  0.2715  0.3314  1
  Hg  Hg4  4  0.0000  0.2797  0.6723  1
  Hg  Hg5  4  0.0000  0.3711  0.0474  1
  Hg  Hg6  4  0.0000  0.4484  0.7102  1
  Pb  Pb7  4  0.0000  0.1018  0.3679  1
  Pb  Pb8  4  0.0000  0.1028  0.7304  1
]