data_Y3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sc
_chemical_formula_sum   'Y3 Sc1'
_cell_volume   121.37
_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  Y1  1  0.75  0.53  0.75  1.0
  Y  Y2  1  0.75  0.47  0.75  1.0
  Y  Y3  1  0.5  0.0  0.0  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0

data_Y3Sc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   109.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sc
_chemical_formula_sum   'Y3 Sc1'
_cell_volume   121.37
_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  0.0  0.5  0.0  1.0
  Y  Y1  1  0.75  0.75  0.47  1.0
  Y  Y2  1  0.75  0.75  0.53  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0

Y Y Y Sc