data_NbVOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.63
_cell_angle_alpha   100.42
_cell_angle_beta   100.42
_cell_angle_gamma   33.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVOs2
_chemical_formula_sum   'Nb1 V1 Os2'
_cell_volume   60.87
_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  0.76  0.0  0.43  1.0
  V  V3  1  0.19  0.0  0.18  1.0
  Os  Os1  1  0.09  0.0  0.08  1.0
  Os  Os2  1  0.83  0.0  0.13  1.0

data_NbVOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.63
_cell_length_c   4.94
_cell_angle_alpha   100.42
_cell_angle_beta   106.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVOs2
_chemical_formula_sum   'Nb1 V1 Os2'
_cell_volume   60.87
_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  0.43  0.76  1.0
  V  V1  1  0.0  0.18  0.19  1.0
  Os  Os2  1  0.0  0.08  0.09  1.0
  Os  Os3  1  0.0  0.13  0.83  1.0

Nb V Os Os
Nb V Os Os 0 3 o o o 1 2 o o o 2 3 - o o 