data_YSc2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   4.42
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Pb
_chemical_formula_sum   'Y1 Sc2 Pb1'
_cell_volume   104.85
_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  0.99  0.0  0.27  1.0
  Sc  Sc1  1  0.56  0.0  0.03  1.0
  Sc  Sc2  1  0.78  0.21  0.56  1.0
  Pb  Pb0  1  0.76  0.21  0.01  1.0

data_YSc2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.42
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Pb
_chemical_formula_sum   'Y1 Sc2 Pb1'
_cell_volume   104.85
_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  0.99  0.0  0.27  1.0
  Sc  Sc1  1  0.56  0.0  0.03  1.0
  Sc  Sc2  1  0.78  0.21  0.56  1.0
  Pb  Pb3  1  0.76  0.21  0.01  1.0

Y Sc Sc Pb
Y Sc Sc Pb 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 