data_[Hg4As4Pb2]
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 [Pm]
_cell_length_a [9.0961]
_cell_length_b [5.8077]
_cell_length_c [18.9772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Hg2As2Pb]
_chemical_formula_sum '[Hg4 As4 Pb2]'
_cell_volume [1002.5162]
_cell_formula_units_Z [2]
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  2  0.5625  0.2393  0.4692  1
  Hg  Hg1  1  0.4967  0.0000  0.6299  1
  Hg  Hg2  1  0.9558  0.5000  0.5531  1
  As  As3  2  0.2492  0.2294  0.4472  1
  As  As4  1  0.1303  0.0000  0.5451  1
  As  As5  1  0.7967  0.5000  0.4344  1
  Pb  Pb6  1  0.2749  0.5000  0.5846  1
  Pb  Pb7  1  0.9463  0.0000  0.4203  1
]