data_YBi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.7
_cell_length_b   11.7
_cell_length_c   11.7
_cell_angle_alpha   17.46
_cell_angle_beta   17.46
_cell_angle_gamma   17.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBi2Pb
_chemical_formula_sum   'Y1 Bi2 Pb1'
_cell_volume   125.73
_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  0.0  0.0  0.67  1.0
  Bi  Bi1  1  0.0  0.0  0.87  1.0
  Pb  Pb2  1  0.0  0.0  0.27  1.0

data_YBi2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.15
_cell_length_b   3.55
_cell_length_c   11.7
_cell_angle_alpha   90.0
_cell_angle_beta   100.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBi2Pb
_chemical_formula_sum   'Y2 Bi4 Pb2'
_cell_volume   251.46
_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  0.0  0.0  0.13  1.0
  Bi  Bi2  2  0.0  0.0  0.33  1.0
  Pb  Pb3  2  0.0  0.0  0.73  1.0

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