data_Na2HgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.71
_cell_angle_alpha   100.2
_cell_angle_beta   100.2
_cell_angle_gamma   35.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HgPb
_chemical_formula_sum   'Na2 Hg1 Pb1'
_cell_volume   111.21
_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
  Na  Na1  1  0.01  0.0  0.48  1.0
  Na  Na2  1  0.18  0.0  0.48  1.0
  Hg  Hg0  1  0.98  0.0  0.27  1.0
  Pb  Pb3  1  0.15  0.0  0.8  1.0

data_Na2HgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.71
_cell_length_c   5.87
_cell_angle_alpha   100.2
_cell_angle_beta   107.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HgPb
_chemical_formula_sum   'Na2 Hg1 Pb1'
_cell_volume   111.21
_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
  Na  Na0  1  0.0  0.48  0.18  1.0
  Na  Na1  1  0.0  0.48  0.01  1.0
  Hg  Hg2  1  0.0  0.27  0.98  1.0
  Pb  Pb3  1  0.0  0.8  0.15  1.0

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