data_Na2BePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   136.63
_cell_angle_beta   136.63
_cell_angle_gamma   63.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BePb
_chemical_formula_sum   'Na2 Be1 Pb1'
_cell_volume   91.86
_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
  Na  Na1  1  0.15  0.0  0.48  1.0
  Na  Na2  1  0.0  0.15  0.48  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.96  1.0

data_Na2BePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   121.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2BePb
_chemical_formula_sum   'Na4 Be2 Pb2'
_cell_volume   183.72
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  4  0.09  0.42  0.67  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.04  0.0  0.04  1.0

Na Na Be Pb
Na Na Be Pb 0 1 o o o 2 3 o o - 