data_LaY2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.09
_cell_angle_alpha   100.29
_cell_angle_beta   100.29
_cell_angle_gamma   33.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Sc
_chemical_formula_sum   'La1 Y2 Sc1'
_cell_volume   124.41
_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
  La  La0  1  0.33  0.0  0.02  1.0
  Y  Y2  1  0.5  0.0  0.95  1.0
  Y  Y3  1  0.48  0.0  0.5  1.0
  Sc  Sc1  1  0.07  0.0  0.49  1.0

data_LaY2Sc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   6.09
_cell_length_c   6.11
_cell_angle_alpha   100.29
_cell_angle_beta   106.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Sc
_chemical_formula_sum   'La1 Y2 Sc1'
_cell_volume   124.41
_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
  La  La0  1  0.0  0.02  0.33  1.0
  Y  Y1  1  0.0  0.5  0.48  1.0
  Y  Y2  1  0.0  0.95  0.5  1.0
  Sc  Sc3  1  0.0  0.49  0.07  1.0

La Y Y Sc