data_BePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   5.94
_cell_angle_alpha   111.54
_cell_angle_beta   111.54
_cell_angle_gamma   31.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePb
_chemical_formula_sum   'Be3 Pb3'
_cell_volume   129.79
_cell_formula_units_Z   3
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  0.15  0.0  0.64  1.0
  Be  Be1  1  0.57  0.0  0.14  1.0
  Be  Be2  1  0.54  0.0  0.91  1.0
  Pb  Pb3  1  0.36  0.0  0.37  1.0
  Pb  Pb4  1  0.92  0.0  0.53  1.0
  Pb  Pb5  1  0.33  0.0  0.14  1.0

data_BePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.94
_cell_length_c   6.68
_cell_angle_alpha   111.54
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePb
_chemical_formula_sum   'Be3 Pb3'
_cell_volume   129.79
_cell_formula_units_Z   3
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  0.14  0.57  1.0
  Be  Be1  1  0.0  0.64  0.15  1.0
  Be  Be2  1  0.0  0.91  0.54  1.0
  Pb  Pb3  1  0.0  0.14  0.33  1.0
  Pb  Pb4  1  0.0  0.37  0.36  1.0
  Pb  Pb5  1  0.0  0.53  0.92  1.0

Be Be Be Pb Pb Pb