data_LiBe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.37
_cell_angle_alpha   101.28
_cell_angle_beta   101.28
_cell_angle_gamma   46.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Pb
_chemical_formula_sum   'Li1 Be2 Pb1'
_cell_volume   62.46
_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  Li2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.46  0.0  0.62  1.0
  Be  Be1  1  0.88  0.0  0.66  1.0
  Pb  Pb3  1  0.67  0.0  0.14  1.0

data_LiBe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.37
_cell_length_c   4.5
_cell_angle_alpha   101.28
_cell_angle_beta   113.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Pb
_chemical_formula_sum   'Li1 Be2 Pb1'
_cell_volume   62.46
_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
  Be  Be1  1  0.0  0.62  0.46  1.0
  Be  Be2  1  0.0  0.66  0.88  1.0
  Pb  Pb3  1  0.0  0.14  0.67  1.0

Li Be Be Pb