data_Be2NbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   138.6
_cell_angle_beta   138.6
_cell_angle_gamma   59.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbPb
_chemical_formula_sum   'Be2 Nb1 Pb1'
_cell_volume   60.99
_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  0.0  1.0
  Be  Be1  1  0.84  0.0  0.25  1.0
  Nb  Nb2  1  0.0  0.0  0.51  1.0
  Pb  Pb3  1  0.0  0.84  0.25  1.0

data_Be2NbPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   5.2
_cell_angle_alpha   110.7
_cell_angle_beta   110.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbPb
_chemical_formula_sum   'Be2 Nb1 Pb1'
_cell_volume   60.99
_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  0.0  1.0
  Be  Be1  1  0.75  0.0  0.59  1.0
  Nb  Nb2  1  0.49  0.0  0.49  1.0
  Pb  Pb3  1  0.59  0.84  0.59  1.0

Be Be Nb Pb
Be Be Nb Pb 0 1 - o o 0 3 o - o 1 3 + - o 1 2 + o o 2 3 o - o 