data_BaHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.4
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHgPb2
_chemical_formula_sum   'Ba1 Hg1 Pb2'
_cell_volume   135.44
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.83  1.0
  Pb  Pb2  1  0.01  0.2  0.36  1.0
  Pb  Pb3  1  0.01  0.2  0.3  1.0

data_BaHgPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.4
_cell_length_b   4.02
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaHgPb2
_chemical_formula_sum   'Ba1 Hg1 Pb2'
_cell_volume   135.44
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.83  1.0
  Pb  Pb2  1  0.2  0.0  0.3  1.0
  Pb  Pb3  1  0.2  0.0  0.36  1.0

Ba Hg Pb Pb
Ba Hg Pb Pb 0 1 o o - 2 3 o o o 