data_[In20Sn4Hg4Bi8]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9108]
_cell_length_b [18.1478]
_cell_length_c [12.5587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In5SnHgBi2]
_chemical_formula_sum '[In20 Sn4 Hg4 Bi8]'
_cell_volume [1119.2304]
_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  0.0452  0.1122  1.0
  In  In1  4  0.0000  0.3041  0.6661  1.0
  In  In2  4  0.0000  0.3134  0.3091  1.0
  In  In3  4  0.0000  0.3896  0.9983  1.0
  In  In4  4  0.0000  0.4958  0.7677  1.0
  Sn  Sn5  4  0.0000  0.4293  0.4886  1.0
  Hg  Hg6  4  0.0000  0.2207  0.9855  1.0
  Bi  Bi7  4  0.0000  0.1287  0.6730  1.0
  Bi  Bi8  4  0.0000  0.1422  0.3236  1.0
]