data_LiPb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   151.65
_cell_angle_beta   150.38
_cell_angle_gamma   41.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPb2Se
_chemical_formula_sum   'Li1 Pb2 Se1'
_cell_volume   103.71
_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  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.95  0.51  1.0
  Pb  Pb2  1  0.87  0.0  0.62  1.0
  Se  Se3  1  0.0  0.0  0.13  1.0

data_LiPb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.9
_cell_length_c   7.62
_cell_angle_alpha   104.81
_cell_angle_beta   104.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPb2Se
_chemical_formula_sum   'Li1 Pb2 Se1'
_cell_volume   103.71
_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  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.25  0.38  0.25  1.0
  Pb  Pb2  1  0.49  0.44  0.44  1.0
  Se  Se3  1  0.87  0.87  0.87  1.0

Li Pb Pb Se