data_YSbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   5.57
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSbPb2
_chemical_formula_sum   'Y1 Sb1 Pb2'
_cell_volume   123.5
_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  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.98  0.78  0.0  1.0
  Pb  Pb0  1  0.0  0.78  0.8  1.0
  Pb  Pb1  1  0.98  0.0  0.8  1.0

data_YSbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.57
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSbPb2
_chemical_formula_sum   'Y1 Sb1 Pb2'
_cell_volume   123.5
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.98  0.78  0.0  1.0
  Pb  Pb2  1  0.0  0.78  0.8  1.0
  Pb  Pb3  1  0.98  0.0  0.8  1.0

Y Sb Pb Pb
Y Sb Pb Pb 0 1 - - o 0 3 - o - 1 2 + o - 2 3 - + o 