data_LiPb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   146.61
_cell_angle_beta   122.16
_cell_angle_gamma   68.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPb2Br
_chemical_formula_sum   'Li1 Pb2 Br1'
_cell_volume   111.16
_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  0.45  1.0
  Pb  Pb2  1  0.0  0.01  0.85  1.0
  Pb  Pb3  1  0.0  0.0  0.55  1.0
  Br  Br0  1  0.0  0.01  0.6  1.0

data_LiPb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   6.03
_cell_length_c   6.23
_cell_angle_alpha   118.92
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPb2Br
_chemical_formula_sum   'Li1 Pb2 Br1'
_cell_volume   111.16
_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  Li0  1  0.55  0.55  0.55  1.0
  Pb  Pb1  1  0.15  0.16  0.16  1.0
  Pb  Pb2  1  0.45  0.45  0.45  1.0
  Br  Br3  1  0.4  0.41  0.41  1.0

Li Pb Pb Br