data_BeBiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   152.16
_cell_angle_beta   141.46
_cell_angle_gamma   48.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiPb2
_chemical_formula_sum   'Be1 Bi1 Pb2'
_cell_volume   109.4
_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
  Bi  Bi1  1  0.0  0.0  0.6  1.0
  Pb  Pb2  1  0.0  0.39  0.26  1.0
  Pb  Pb3  1  0.74  0.0  0.34  1.0

data_BeBiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.77
_cell_length_c   7.23
_cell_angle_alpha   109.27
_cell_angle_beta   103.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiPb2
_chemical_formula_sum   'Be1 Bi1 Pb2'
_cell_volume   109.4
_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
  Bi  Bi1  1  0.0  0.6  0.6  1.0
  Pb  Pb2  1  0.0  0.34  0.6  1.0
  Pb  Pb3  1  0.61  0.87  0.87  1.0

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