data_Hg2BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   4.05
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BPb
_chemical_formula_sum   'Hg2 B1 Pb1'
_cell_volume   93.56
_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  Hg1  1  0.95  0.03  0.38  1.0
  Hg  Hg2  1  0.95  0.03  0.55  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.97  1.0

data_Hg2BPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.05
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BPb
_chemical_formula_sum   'Hg2 B1 Pb1'
_cell_volume   93.56
_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  0.95  0.03  0.38  1.0
  Hg  Hg1  1  0.95  0.03  0.55  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.97  1.0

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