data_Na2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   6.14
_cell_angle_alpha   103.13
_cell_angle_beta   103.13
_cell_angle_gamma   39.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HgBi
_chemical_formula_sum   'Na2 Hg1 Bi1'
_cell_volume   114.1
_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  Na2  1  0.51  0.0  0.45  1.0
  Na  Na3  1  0.35  0.0  0.5  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.43  0.0  0.98  1.0

data_Na2HgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.49
_cell_length_c   6.14
_cell_angle_alpha   103.13
_cell_angle_beta   90.0
_cell_angle_gamma   109.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HgBi
_chemical_formula_sum   'Na2 Hg1 Bi1'
_cell_volume   114.1
_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  0.49  0.55  1.0
  Na  Na1  1  0.0  0.65  0.5  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.57  0.02  1.0

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