data_Na2BePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   139.85
_cell_angle_beta   134.83
_cell_angle_gamma   62.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BePb
_chemical_formula_sum   'Na2 Be1 Pb1'
_cell_volume   91.26
_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  0.01  0.0  0.38  1.0
  Na  Na2  1  0.0  0.25  0.65  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.03  1.0

data_Na2BePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.51
_cell_length_c   5.87
_cell_angle_alpha   112.58
_cell_angle_beta   110.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BePb
_chemical_formula_sum   'Na2 Be1 Pb1'
_cell_volume   91.26
_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  Na0  1  0.0  0.38  0.37  1.0
  Na  Na1  1  0.75  0.39  0.39  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.03  0.03  1.0

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