data_ScV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2
_chemical_formula_sum   'Sc2 V4'
_cell_volume   101.6
_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
  Sc  Sc0  1  0.0  0.67  0.37  1.0
  Sc  Sc1  1  0.31  0.34  0.11  1.0
  V  V2  1  0.0  0.0  0.74  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  V  V4  1  0.0  0.67  0.11  1.0
  V  V5  1  0.31  0.34  0.37  1.0

data_ScV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2
_chemical_formula_sum   'Sc2 V4'
_cell_volume   101.6
_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
  Sc  Sc0  1  -0.0  0.67  0.37  1.0
  Sc  Sc1  1  0.31  0.34  0.11  1.0
  V  V2  1  -0.0  0.67  0.11  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  V  V4  1  0.0  0.0  0.74  1.0
  V  V5  1  0.31  0.34  0.37  1.0

Sc Sc V V V V