data_NbVRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVRh2
_chemical_formula_sum   'Nb1 V1 Rh2'
_cell_volume   60.63
_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  0.79  0.0  0.99  1.0
  V  V3  1  0.0  0.0  0.16  1.0
  Rh  Rh1  1  0.0  0.0  0.99  1.0
  Rh  Rh2  1  0.79  0.0  0.94  1.0

data_NbVRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVRh2
_chemical_formula_sum   'Nb1 V1 Rh2'
_cell_volume   60.63
_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  0.79  0.0  0.99  1.0
  V  V1  1  0.0  0.0  0.16  1.0
  Rh  Rh2  1  0.0  0.0  0.99  1.0
  Rh  Rh3  1  0.79  0.0  0.94  1.0

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