data_V3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Rh
_chemical_formula_sum   'V6 Rh2'
_cell_volume   108.45
_cell_formula_units_Z   2
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
  V  V2  1  0.0  0.54  0.4  1.0
  V  V3  1  0.29  0.78  0.4  1.0
  V  V4  1  0.71  0.78  0.4  1.0
  V  V5  1  0.63  0.01  0.13  1.0
  V  V6  1  0.33  0.77  0.13  1.0
  V  V7  1  0.92  0.77  0.13  1.0
  Rh  Rh0  1  0.0  0.03  0.13  1.0
  Rh  Rh1  1  0.63  0.52  0.4  1.0

data_V3Rh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.53
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   V3Rh
_chemical_formula_sum   'V6 Rh2'
_cell_volume   108.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  V  V0  2  0.13  0.39  0.5  1.0
  V  V1  2  0.13  0.69  0.27  1.0
  V  V2  2  0.13  0.98  0.5  1.0
  Rh  Rh3  2  0.13  0.31  0.24  1.0

V V V V V V Rh Rh
V V V V V V Rh Rh 0 1 o o o 1 4 o o o 2 7 o o o 3 4 o - o 5 6 + + o 