data_ZrHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   5.41
_cell_angle_alpha   113.73
_cell_angle_beta   113.73
_cell_angle_gamma   29.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrHg2Pb
_chemical_formula_sum   'Zr1 Hg2 Pb1'
_cell_volume   98.36
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.58  0.0  0.77  1.0
  Hg  Hg1  1  0.47  0.0  0.14  1.0
  Pb  Pb2  1  0.02  0.0  0.46  1.0

data_ZrHg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.41
_cell_length_c   6.36
_cell_angle_alpha   113.73
_cell_angle_beta   104.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrHg2Pb
_chemical_formula_sum   'Zr1 Hg2 Pb1'
_cell_volume   98.36
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.14  0.47  1.0
  Hg  Hg2  1  0.0  0.77  0.58  1.0
  Pb  Pb3  1  0.0  0.46  0.02  1.0

Zr Hg Hg Pb