data_Nb2VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   144.7
_cell_angle_beta   129.26
_cell_angle_gamma   63.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VMo
_chemical_formula_sum   'Nb2 V1 Mo1'
_cell_volume   65.3
_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  0.6  0.0  0.28  1.0
  Nb  Nb2  1  0.0  0.26  0.22  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.5  1.0

data_Nb2VMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.53
_cell_length_c   5.29
_cell_angle_alpha   115.37
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VMo
_chemical_formula_sum   'Nb2 V1 Mo1'
_cell_volume   65.3
_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  0.32  0.72  0.32  1.0
  Nb  Nb1  1  0.78  0.04  0.04  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.5  0.5  0.5  1.0

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