data_YSc2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   146.08
_cell_angle_beta   130.4
_cell_angle_gamma   61.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2V
_chemical_formula_sum   'Y1 Sc2 V1'
_cell_volume   95.1
_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  0.56  0.29  1.0
  Sc  Sc0  1  0.0  0.0  0.03  1.0
  Sc  Sc1  1  0.78  0.0  1.0  1.0
  V  V2  1  0.0  0.0  0.15  1.0

data_YSc2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.11
_cell_length_c   6.09
_cell_angle_alpha   114.8
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2V
_chemical_formula_sum   'Y1 Sc2 V1'
_cell_volume   95.1
_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  Y0  1  0.44  0.74  0.74  1.0
  Sc  Sc1  1  0.0  0.03  0.03  1.0
  Sc  Sc2  1  0.0  1.0  0.22  1.0
  V  V3  1  0.0  0.15  0.15  1.0

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