data_Ba2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   8.1
_cell_angle_alpha   107.29
_cell_angle_beta   107.29
_cell_angle_gamma   56.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HgBi
_chemical_formula_sum   'Ba2 Hg1 Bi1'
_cell_volume   183.42
_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  0.29  0.0  0.57  1.0
  Ba  Ba1  1  0.41  0.0  0.05  1.0
  Hg  Hg3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.35  0.0  0.81  1.0

data_Ba2HgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.1
_cell_length_b   5.36
_cell_length_c   8.1
_cell_angle_alpha   107.29
_cell_angle_beta   90.0
_cell_angle_gamma   118.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HgBi
_chemical_formula_sum   'Ba2 Hg1 Bi1'
_cell_volume   183.42
_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  0.59  0.95  1.0
  Ba  Ba1  1  0.0  0.71  0.43  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.65  0.19  1.0

Ba Ba Hg Bi