data_Be5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   4.27
_cell_angle_alpha   108.48
_cell_angle_beta   108.48
_cell_angle_gamma   32.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Pb
_chemical_formula_sum   'Be5 Pb1'
_cell_volume   75.55
_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  0.53  0.0  1.0  1.0
  Be  Be1  1  0.52  0.0  0.56  1.0
  Be  Be2  1  0.36  0.0  0.79  1.0
  Be  Be3  1  0.58  0.0  0.93  1.0
  Be  Be4  1  0.29  0.0  0.1  1.0
  Pb  Pb5  1  0.36  0.0  0.06  1.0

data_Be5Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.27
_cell_length_c   5.87
_cell_angle_alpha   108.48
_cell_angle_beta   106.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Pb
_chemical_formula_sum   'Be5 Pb1'
_cell_volume   75.55
_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  0.1  0.29  1.0
  Be  Be1  1  0.0  0.56  0.52  1.0
  Be  Be2  1  0.0  0.79  0.36  1.0
  Be  Be3  1  0.0  0.93  0.58  1.0
  Be  Be4  1  0.0  1.0  0.53  1.0
  Pb  Pb5  1  0.0  0.06  0.36  1.0

Be Be Be Be Be Pb
Be Be Be Be Be Pb 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 5 o o + 2 3 o o o 4 5 o o o 