data_LiBePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   40.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBePb2
_chemical_formula_sum   'Li1 Be1 Pb2'
_cell_volume   85.19
_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  0.68  1.0
  Be  Be0  1  0.18  0.0  0.12  1.0
  Pb  Pb2  1  0.18  0.0  0.15  1.0
  Pb  Pb3  1  0.0  0.0  0.62  1.0

data_LiBePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.35
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   110.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBePb2
_chemical_formula_sum   'Li1 Be1 Pb2'
_cell_volume   85.19
_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  0.32  0.0  0.32  1.0
  Be  Be1  1  0.88  0.18  0.88  1.0
  Pb  Pb2  1  0.38  0.0  0.38  1.0
  Pb  Pb3  1  0.85  0.18  0.85  1.0

Li Be Pb Pb