data_Nb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   6.51
_cell_angle_alpha   107.11
_cell_angle_beta   107.11
_cell_angle_gamma   34.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Mo
_chemical_formula_sum   'Nb4 Mo2'
_cell_volume   103.12
_cell_formula_units_Z   2
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  0.0  1.0
  Nb  Nb3  1  0.23  0.0  0.05  1.0
  Nb  Nb4  1  1.0  0.0  0.1  1.0
  Nb  Nb5  1  0.05  0.0  0.15  1.0
  Mo  Mo0  1  0.2  0.0  0.18  1.0
  Mo  Mo1  1  0.09  0.0  0.01  1.0

data_Nb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.39
_cell_length_c   6.51
_cell_angle_alpha   107.11
_cell_angle_beta   90.0
_cell_angle_gamma   107.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Mo
_chemical_formula_sum   'Nb4 Mo2'
_cell_volume   103.12
_cell_formula_units_Z   2
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
  Nb  Nb1  1  0.0  0.0  0.9  1.0
  Nb  Nb2  1  0.0  0.77  0.95  1.0
  Nb  Nb3  1  0.0  0.95  0.85  1.0
  Mo  Mo4  1  0.0  0.8  0.82  1.0
  Mo  Mo5  1  0.0  0.91  0.99  1.0

Nb Nb Nb Nb Mo Mo