data_NbBiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiMo
_chemical_formula_sum   'Nb1 Bi1 Mo1'
_cell_volume   59.82
_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  0.0  0.84  1.0
  Bi  Bi0  1  0.4  0.39  0.43  1.0
  Mo  Mo1  1  0.0  0.78  0.72  1.0

data_NbBiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiMo
_chemical_formula_sum   'Nb1 Bi1 Mo1'
_cell_volume   59.82
_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  0.84  0.0  0.0  1.0
  Bi  Bi1  1  0.43  0.4  0.39  1.0
  Mo  Mo2  1  0.72  0.0  0.78  1.0

Nb Bi Mo
Nb Bi Mo 0 2 o - o 0 1 o o + 0 1 o o o 1 2 o - o 1 2 + o o 1 1 o o + 