data_MnNbBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.58
_cell_angle_alpha   98.88
_cell_angle_beta   98.88
_cell_angle_gamma   41.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbBi2
_chemical_formula_sum   'Mn1 Nb1 Bi2'
_cell_volume   92.95
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.25  0.0  0.75  1.0
  Bi  Bi0  1  0.94  0.0  0.43  1.0
  Bi  Bi1  1  0.56  0.0  0.08  1.0

data_MnNbBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.04
_cell_length_c   5.58
_cell_angle_alpha   98.88
_cell_angle_beta   90.0
_cell_angle_gamma   110.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbBi2
_chemical_formula_sum   'Mn1 Nb1 Bi2'
_cell_volume   92.95
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.75  0.25  1.0
  Bi  Bi2  1  0.0  0.06  0.57  1.0
  Bi  Bi3  1  0.0  0.44  0.92  1.0

Mn Nb Bi Bi
Mn Nb Bi Bi 0 3 - o o 0 2 - o o 0 1 o o - 1 2 - o o 1 3 o o + 2 3 o o o 