data_YScV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94
_cell_length_b   9.94
_cell_length_c   9.94
_cell_angle_alpha   17.58
_cell_angle_beta   17.58
_cell_angle_gamma   17.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScV2
_chemical_formula_sum   'Y1 Sc1 V2'
_cell_volume   78.27
_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
  Y  Y3  1  0.0  0.0  0.68  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.0  0.44  1.0
  V  V2  1  0.0  0.0  0.92  1.0

data_YScV2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   9.94
_cell_angle_alpha   90.0
_cell_angle_beta   100.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YScV2
_chemical_formula_sum   'Y2 Sc2 V4'
_cell_volume   156.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.32  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  V  V2  2  0.0  0.0  0.08  1.0
  V  V3  2  0.0  0.0  0.56  1.0

Y Sc V V
Y Sc V V 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 0 3 o o o 1 3 o o - 2 2 o + - 2 2 + - o 2 2 + o - 