data_ScV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   3.54
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV
_chemical_formula_sum   'Sc4 V4'
_cell_volume   153.1
_cell_formula_units_Z   4
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
  Sc  Sc0  1  0.62  0.89  0.65  1.0
  Sc  Sc1  1  0.34  0.66  0.37  1.0
  Sc  Sc2  1  0.58  0.89  0.08  1.0
  Sc  Sc3  1  0.3  0.66  0.81  1.0
  V  V4  1  0.13  0.89  0.54  1.0
  V  V5  1  0.83  0.66  0.82  1.0
  V  V6  1  0.09  0.89  0.64  1.0
  V  V7  1  0.79  0.66  0.91  1.0

data_ScV
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.54
_cell_length_b   5.45
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScV
_chemical_formula_sum   'Sc4 V4'
_cell_volume   153.1
_cell_formula_units_Z   4
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
  Sc  Sc0  2  0.39  0.58  0.84  1.0
  Sc  Sc1  2  0.39  0.15  0.88  1.0
  V  V2  2  0.39  0.68  0.33  1.0
  V  V3  2  0.39  0.59  0.37  1.0

Sc Sc Sc Sc V V V V