data_Nb2ZnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   141.76
_cell_angle_beta   127.82
_cell_angle_gamma   66.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnBi
_chemical_formula_sum   'Nb2 Zn1 Bi1'
_cell_volume   76.27
_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  Nb1  1  0.77  0.0  0.21  1.0
  Nb  Nb2  1  0.0  0.38  0.31  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.52  1.0

data_Nb2ZnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.76
_cell_length_c   5.41
_cell_angle_alpha   116.09
_cell_angle_beta   109.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnBi
_chemical_formula_sum   'Nb2 Zn1 Bi1'
_cell_volume   76.27
_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  0.21  0.44  1.0
  Nb  Nb1  1  0.62  0.93  0.93  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.52  0.52  1.0

Nb Nb Zn Bi