data_YSc2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   9.03
_cell_angle_alpha   90.0
_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   91.96
_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  0.6  0.6  0.48  1.0
  Sc  Sc0  1  0.0  0.0  0.1  1.0
  Sc  Sc1  1  0.6  0.6  0.57  1.0
  V  V2  1  0.0  0.0  0.39  1.0

data_YSc2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSc2V
_chemical_formula_sum   'Y2 Sc4 V2'
_cell_volume   183.91
_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  0.1  0.5  0.48  1.0
  Sc  Sc1  2  0.0  0.0  0.1  1.0
  Sc  Sc2  2  0.1  0.5  0.57  1.0
  V  V3  2  0.0  0.0  0.39  1.0

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