data_NbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   7.97
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMo2
_chemical_formula_sum   'Nb2 Mo4'
_cell_volume   99.84
_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  Nb4  1  0.0  0.0  0.0  1.0
  Nb  Nb5  1  0.36  0.99  0.31  1.0
  Mo  Mo0  1  0.55  0.67  0.0  1.0
  Mo  Mo1  1  0.81  0.66  0.31  1.0
  Mo  Mo2  1  0.9  0.32  0.31  1.0
  Mo  Mo3  1  0.16  0.3  0.0  1.0

data_NbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.62
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMo2
_chemical_formula_sum   'Nb2 Mo4'
_cell_volume   99.84
_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  0.64  0.69  0.01  1.0
  Mo  Mo2  1  0.1  0.69  0.68  1.0
  Mo  Mo3  1  0.19  0.69  0.34  1.0
  Mo  Mo4  1  0.45  0.0  0.33  1.0
  Mo  Mo5  1  0.84  0.0  0.7  1.0

Nb Nb Mo Mo Mo Mo