data_Be2NbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   139.28
_cell_angle_beta   138.36
_cell_angle_gamma   59.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbPb
_chemical_formula_sum   'Be2 Nb1 Pb1'
_cell_volume   61.09
_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  0.0  0.12  1.0
  Be  Be1  1  0.82  0.0  0.13  1.0
  Nb  Nb2  1  0.0  0.0  0.52  1.0
  Pb  Pb3  1  0.0  0.86  0.29  1.0

data_Be2NbPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.71
_cell_length_c   5.22
_cell_angle_alpha   110.82
_cell_angle_beta   110.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbPb
_chemical_formula_sum   'Be2 Nb1 Pb1'
_cell_volume   61.09
_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  0.69  0.87  0.69  1.0
  Be  Be1  1  0.88  0.88  0.88  1.0
  Nb  Nb2  1  0.48  0.48  0.48  1.0
  Pb  Pb3  1  0.71  0.56  0.56  1.0

Be Be Nb Pb