data_Y2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   8.25
_cell_angle_alpha   102.67
_cell_angle_beta   102.67
_cell_angle_gamma   31.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Sc
_chemical_formula_sum   'Y4 Sc2'
_cell_volume   178.99
_cell_formula_units_Z   2
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  Y2  1  0.61  0.0  0.52  1.0
  Y  Y3  1  0.93  0.0  0.75  1.0
  Y  Y4  1  0.78  0.0  0.28  1.0
  Y  Y5  1  0.1  0.0  0.52  1.0
  Sc  Sc0  1  0.47  0.0  0.96  1.0
  Sc  Sc1  1  0.24  0.0  0.07  1.0

data_Y2Sc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.54
_cell_length_b   6.54
_cell_length_c   8.25
_cell_angle_alpha   102.67
_cell_angle_beta   90.0
_cell_angle_gamma   105.7
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y2Sc
_chemical_formula_sum   'Y4 Sc2'
_cell_volume   178.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.08  0.24  1.0
  Y  Y1  2  0.0  0.24  0.0  1.0
  Sc  Sc2  2  0.0  0.39  0.55  1.0

Y Y Y Y Sc Sc
Y Y Y Y Sc Sc 0 2 o o o 0 1 o o o 1 3 + o o 1 5 + o + 2 4 o o - 2 3 + o o 4 5 o o + 