data_YSc2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   30.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2V
_chemical_formula_sum   'Y1 Sc2 V1'
_cell_volume   92.12
_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  0.42  0.0  0.04  1.0
  Sc  Sc0  1  0.0  0.0  0.08  1.0
  Sc  Sc1  1  0.42  0.0  0.27  1.0
  V  V2  1  0.0  0.0  0.58  1.0

data_YSc2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.84
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2V
_chemical_formula_sum   'Y1 Sc2 V1'
_cell_volume   92.12
_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  0.96  0.42  0.96  1.0
  Sc  Sc1  1  0.73  0.42  0.73  1.0
  Sc  Sc2  1  0.92  0.0  0.92  1.0
  V  V3  1  0.42  0.0  0.42  1.0

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