data_Nb2VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.45
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VMo
_chemical_formula_sum   'Nb2 V1 Mo1'
_cell_volume   65.45
_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  0.08  0.0  0.14  1.0
  Nb  Nb2  1  0.89  0.22  0.33  1.0
  V  V3  1  0.92  0.0  0.61  1.0
  Mo  Mo0  1  0.0  0.22  0.85  1.0

data_Nb2VMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.45
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VMo
_chemical_formula_sum   'Nb2 V1 Mo1'
_cell_volume   65.45
_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  Nb0  1  0.08  0.0  0.14  1.0
  Nb  Nb1  1  0.89  0.22  0.33  1.0
  V  V2  1  0.92  0.0  0.61  1.0
  Mo  Mo3  1  0.0  0.22  0.85  1.0

Nb Nb V Mo
Nb Nb V Mo 0 3 o o - 0 1 - o o 1 2 o o o 2 3 + o o 