data_[Mg4In4Hg20Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  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 [3.4226]
_cell_length_b [20.0516]
_cell_length_c [14.1457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MgInHg5Pb2]
_chemical_formula_sum '[Mg4 In4 Hg20 Pb8]'
_cell_volume [970.8074]
_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
[
  Mg  Mg0  4  0.0000  0.2776  0.0360  1.0
  In  In1  4  0.0000  0.4650  0.3981  1.0
  Hg  Hg2  4  0.0000  0.1228  0.0397  1.0
  Hg  Hg3  4  0.0000  0.2813  0.3850  1.0
  Hg  Hg4  4  0.0000  0.2845  0.6844  1.0
  Hg  Hg5  4  0.0000  0.4184  0.0339  1.0
  Hg  Hg6  4  0.0000  0.4721  0.6809  1.0
  Pb  Pb7  4  0.0000  0.1239  0.3349  1.0
  Pb  Pb8  4  0.0000  0.1275  0.7311  1.0
]