data_CaBiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBiPb2
_chemical_formula_sum   'Ca1 Bi1 Pb2'
_cell_volume   125.1
_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
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.63  1.0
  Pb  Pb2  1  0.84  0.84  0.3  1.0
  Pb  Pb3  1  0.84  0.84  0.96  1.0

data_CaBiPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaBiPb2
_chemical_formula_sum   'Ca2 Bi2 Pb4'
_cell_volume   250.2
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.63  1.0
  Pb  Pb2  2  0.34  0.5  0.3  1.0
  Pb  Pb3  2  0.34  0.5  0.96  1.0

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