data_BePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   136.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePb
_chemical_formula_sum   'Be2 Pb2'
_cell_volume   80.72
_cell_formula_units_Z   2
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  0.52  0.99  1.0
  Be  Be1  1  0.0  0.48  1.0  1.0
  Pb  Pb2  1  0.0  0.6  1.0  1.0
  Pb  Pb3  1  0.0  0.4  0.99  1.0

data_BePb
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   4.01
_cell_length_b   3.98
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   BePb
_chemical_formula_sum   'Be2 Pb2'
_cell_volume   80.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  2  0.48  0.0  0.48  1.0
  Pb  Pb1  2  0.4  0.0  0.4  1.0

Be Be Pb Pb
Be Be Pb Pb 0 1 o o o 0 2 o o o 1 3 o o o 