data_Nb2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   134.8
_cell_angle_beta   134.8
_cell_angle_gamma   65.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2HgBi
_chemical_formula_sum   'Nb2 Hg1 Bi1'
_cell_volume   82.89
_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  Nb2  1  0.0  0.12  0.31  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.62  1.0
  Bi  Bi0  1  0.12  0.0  0.31  1.0

data_Nb2HgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.51
_cell_angle_alpha   112.6
_cell_angle_beta   112.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2HgBi
_chemical_formula_sum   'Nb2 Hg1 Bi1'
_cell_volume   82.89
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.8  0.12  0.8  1.0
  Hg  Hg2  1  0.38  0.0  0.38  1.0
  Bi  Bi3  1  0.69  0.0  0.8  1.0

Nb Nb Hg Bi