data_LiBiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.61
_cell_length_b   10.61
_cell_length_c   10.61
_cell_angle_alpha   19.13
_cell_angle_beta   19.13
_cell_angle_gamma   19.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiPb2
_chemical_formula_sum   'Li1 Bi1 Pb2'
_cell_volume   112.2
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.62  1.0
  Pb  Pb2  1  0.0  0.0  0.15  1.0
  Pb  Pb3  1  0.0  0.0  0.1  1.0

data_LiBiPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   3.53
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   101.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiBiPb2
_chemical_formula_sum   'Li2 Bi2 Pb4'
_cell_volume   224.4
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.38  1.0
  Pb  Pb2  2  0.0  0.0  0.85  1.0
  Pb  Pb3  2  0.0  0.0  0.9  1.0

Li Bi Pb Pb