data_BeAl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   129.34
_cell_angle_beta   129.34
_cell_angle_gamma   74.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Pb
_chemical_formula_sum   'Be1 Al2 Pb1'
_cell_volume   77.12
_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
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.06  1.0
  Al  Al1  1  0.0  0.18  0.03  1.0
  Pb  Pb3  1  0.18  0.0  0.03  1.0

data_BeAl2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.1
_cell_angle_alpha   115.33
_cell_angle_beta   115.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Pb
_chemical_formula_sum   'Be1 Al2 Pb1'
_cell_volume   77.12
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.15  0.18  0.15  1.0
  Al  Al2  1  0.94  0.0  0.94  1.0
  Pb  Pb3  1  0.97  0.0  0.15  1.0

Be Al Al Pb