data_Sc2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2V
_chemical_formula_sum   'Sc2 V1'
_cell_volume   59.0
_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
  Sc  Sc0  1  0.42  0.4  0.46  1.0
  Sc  Sc1  1  0.0  0.79  0.46  1.0
  V  V2  1  0.0  0.0  0.0  1.0

data_Sc2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2V
_chemical_formula_sum   'Sc2 V1'
_cell_volume   59.0
_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
  Sc  Sc0  1  0.46  0.0  0.79  1.0
  Sc  Sc1  1  0.46  0.42  0.4  1.0
  V  V2  1  0.0  0.0  0.0  1.0

Sc Sc V
Sc Sc V 0 2 o o o 0 2 o o + 0 1 o - o 0 1 + o o 0 0 o o + 1 2 o + o 1 2 o + + 