data_HgMoPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoPb2
_chemical_formula_sum   'Hg1 Mo1 Pb2'
_cell_volume   103.28
_cell_formula_units_Z   1
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  1  0.0  0.0  0.46  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.92  0.0  0.27  1.0
  Pb  Pb3  1  0.92  0.0  0.66  1.0

data_HgMoPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoPb2
_chemical_formula_sum   'Hg1 Mo1 Pb2'
_cell_volume   103.28
_cell_formula_units_Z   1
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  1  0.0  0.0  0.46  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.92  0.0  0.27  1.0
  Pb  Pb3  1  0.92  0.0  0.66  1.0

Hg Mo Pb Pb
Hg Mo Pb Pb 0 2 - o o 0 3 - o o 1 1 o + o 1 1 + o o 1 2 - o o 