data_Nb4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   151.0
_cell_angle_beta   151.0
_cell_angle_gamma   41.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Mo
_chemical_formula_sum   'Nb4 Mo1'
_cell_volume   95.45
_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  0.86  0.0  0.47  1.0
  Nb  Nb2  1  0.0  0.0  0.71  1.0
  Nb  Nb3  1  0.0  0.0  0.15  1.0
  Nb  Nb4  1  0.0  0.86  0.47  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Nb4Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   110.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb4Mo
_chemical_formula_sum   'Nb8 Mo2'
_cell_volume   190.89
_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
  Nb  Nb0  4  0.43  0.43  0.39  1.0
  Nb  Nb1  2  0.0  0.0  0.29  1.0
  Nb  Nb2  2  0.0  0.0  0.85  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Nb Nb Nb Nb Mo