data_[Hg8As4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9517]
_cell_length_b [11.0698]
_cell_length_c [8.1577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2AsPb3]
_chemical_formula_sum '[Hg8 As4 Pb12]'
_cell_volume [707.4206]
_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
[
  Hg  Hg0  4  0.0000  0.1402  0.0000  1
  Hg  Hg1  2  0.0000  0.0000  0.5000  1
  Hg  Hg2  2  0.0000  0.5000  0.0000  1
  As  As3  4  0.0000  0.3029  0.5000  1
  Pb  Pb4  8  0.2321  0.3308  0.2567  1
  Pb  Pb5  4  0.1923  0.5000  0.6980  1
]