data_YBiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   4.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiPb2
_chemical_formula_sum   'Y1 Bi1 Pb2'
_cell_volume   129.24
_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
  Bi  Bi0  1  0.83  0.83  0.0  1.0
  Pb  Pb1  1  0.83  0.0  0.02  1.0
  Pb  Pb2  1  0.0  0.83  0.02  1.0

data_YBiPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.01
_cell_length_b   8.01
_cell_length_c   4.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBiPb2
_chemical_formula_sum   'Y2 Bi2 Pb4'
_cell_volume   258.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Bi  Bi1  2  0.33  0.5  0.0  1.0
  Pb  Pb2  4  0.42  0.42  0.02  1.0

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