data_LiNbBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.35
_cell_length_c   3.13
_cell_angle_alpha   81.69
_cell_angle_beta   74.11
_cell_angle_gamma   24.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbBi
_chemical_formula_sum   'Li1 Nb1 Bi1'
_cell_volume   66.07
_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
  Li  Li1  1  0.82  0.55  0.56  1.0
  Nb  Nb2  1  0.82  0.55  0.74  1.0
  Bi  Bi0  1  0.82  0.55  0.16  1.0

data_LiNbBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.65
_cell_length_b   14.23
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   125.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiNbBi
_chemical_formula_sum   'Li2 Nb2 Bi2'
_cell_volume   132.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.05  0.5  0.62  1.0
  Nb  Nb1  2  0.05  0.5  0.44  1.0
  Bi  Bi2  2  0.05  0.5  0.01  1.0

Li Nb Bi