data_BeNbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.14
_cell_angle_alpha   105.93
_cell_angle_beta   105.93
_cell_angle_gamma   31.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbPb2
_chemical_formula_sum   'Be1 Nb1 Pb2'
_cell_volume   86.12
_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  0.38  0.0  0.41  1.0
  Nb  Nb1  1  0.36  0.0  0.16  1.0
  Pb  Pb2  1  0.15  0.0  0.34  1.0
  Pb  Pb3  1  0.64  0.0  0.48  1.0

data_BeNbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.14
_cell_length_c   5.79
_cell_angle_alpha   105.93
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbPb2
_chemical_formula_sum   'Be1 Nb1 Pb2'
_cell_volume   86.12
_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  0.41  0.38  1.0
  Nb  Nb1  1  0.0  0.16  0.36  1.0
  Pb  Pb2  1  0.0  0.34  0.15  1.0
  Pb  Pb3  1  0.0  0.48  0.64  1.0

Be Nb Pb Pb