data_NbHg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.97
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   99.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2Bi
_chemical_formula_sum   'Nb1 Hg2 Bi1'
_cell_volume   95.26
_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
  Nb  Nb3  1  0.31  0.0  0.08  1.0
  Hg  Hg1  1  0.34  0.0  0.14  1.0
  Hg  Hg2  1  0.53  0.48  0.49  1.0
  Bi  Bi0  1  0.64  0.48  0.37  1.0

data_NbHg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.97
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   99.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2Bi
_chemical_formula_sum   'Nb1 Hg2 Bi1'
_cell_volume   95.26
_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
  Nb  Nb0  1  0.31  0.0  0.08  1.0
  Hg  Hg1  1  0.34  0.0  0.14  1.0
  Hg  Hg2  1  0.53  0.48  0.49  1.0
  Bi  Bi3  1  0.64  0.48  0.37  1.0

Nb Hg Hg Bi