data_[Hg4P4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3415]
_cell_length_b [5.8809]
_cell_length_c [8.6191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgPPb]
_chemical_formula_sum '[Hg4 P4 Pb4]'
_cell_volume [321.3832]
_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  0.1531  0.0000  0.7380  1
  P  P1  4  0.1569  0.5000  0.5359  1
  Pb  Pb2  4  0.2073  0.5000  0.8729  1
]