data_BeSnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   6.18
_cell_angle_alpha   113.74
_cell_angle_beta   113.74
_cell_angle_gamma   44.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnPb2
_chemical_formula_sum   'Be1 Sn1 Pb2'
_cell_volume   105.62
_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  0.19  0.0  0.11  1.0
  Sn  Sn3  1  0.21  0.0  0.1  1.0
  Pb  Pb1  1  0.47  0.0  0.25  1.0
  Pb  Pb2  1  0.48  0.0  0.88  1.0

data_BeSnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.19
_cell_length_c   6.18
_cell_angle_alpha   113.74
_cell_angle_beta   90.0
_cell_angle_gamma   112.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnPb2
_chemical_formula_sum   'Be1 Sn1 Pb2'
_cell_volume   105.62
_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  0.81  0.89  1.0
  Sn  Sn1  1  0.0  0.79  0.9  1.0
  Pb  Pb2  1  0.0  0.52  0.12  1.0
  Pb  Pb3  1  0.0  0.53  0.75  1.0

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