data_NbNi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.35
_cell_angle_alpha   98.99
_cell_angle_beta   98.99
_cell_angle_gamma   43.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Bi
_chemical_formula_sum   'Nb1 Ni2 Bi1'
_cell_volume   70.17
_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  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.47  0.0  0.34  1.0
  Ni  Ni3  1  0.81  0.0  0.93  1.0
  Bi  Bi0  1  0.64  0.0  0.64  1.0

data_NbNi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.4
_cell_length_c   5.35
_cell_angle_alpha   98.99
_cell_angle_beta   90.0
_cell_angle_gamma   111.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Bi
_chemical_formula_sum   'Nb1 Ni2 Bi1'
_cell_volume   70.17
_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
  Ni  Ni1  1  0.0  0.19  0.07  1.0
  Ni  Ni2  1  0.0  0.53  0.66  1.0
  Bi  Bi3  1  0.0  0.36  0.36  1.0

Nb Ni Ni Bi