data_NbVMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   144.92
_cell_angle_beta   129.92
_cell_angle_gamma   62.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVMo2
_chemical_formula_sum   'Nb1 V1 Mo2'
_cell_volume   63.0
_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  Nb2  1  0.58  0.0  0.47  1.0
  V  V3  1  0.0  0.0  0.77  1.0
  Mo  Mo0  1  0.58  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.21  1.0

data_NbVMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.44
_cell_length_c   5.25
_cell_angle_alpha   115.04
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVMo2
_chemical_formula_sum   'Nb1 V1 Mo2'
_cell_volume   63.0
_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  0.0  0.47  0.89  1.0
  V  V1  1  0.0  0.77  0.77  1.0
  Mo  Mo2  1  0.0  0.0  0.42  1.0
  Mo  Mo3  1  0.0  0.21  0.21  1.0

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