data_[In4Hg4Bi8Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3323]
_cell_length_b [18.3292]
_cell_length_c [14.4211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InHgBi2Pb5]
_chemical_formula_sum '[In4 Hg4 Bi8 Pb20]'
_cell_volume [1145.1482]
_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  0.2005  0.0333  1.0
  Hg  Hg1  4  0.0000  0.4023  0.4493  1.0
  Bi  Bi2  4  0.0000  0.0280  0.3479  1.0
  Bi  Bi3  4  0.0000  0.2065  0.6608  1.0
  Pb  Pb4  4  0.0000  0.0126  0.0793  1.0
  Pb  Pb5  4  0.0000  0.2482  0.3400  1.0
  Pb  Pb6  4  0.0000  0.3731  0.9746  1.0
  Pb  Pb7  4  0.0000  0.3820  0.7122  1.0
  Pb  Pb8  4  0.0000  0.4177  0.2266  1.0
]