data_BePtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   7.23
_cell_angle_alpha   105.11
_cell_angle_beta   105.11
_cell_angle_gamma   57.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePtPb2
_chemical_formula_sum   'Be1 Pt1 Pb2'
_cell_volume   91.17
_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  0.63  0.0  0.57  1.0
  Pt  Pt3  1  0.35  0.0  0.59  1.0
  Pb  Pb1  1  0.06  0.0  0.61  1.0
  Pb  Pb2  1  0.1  0.0  0.58  1.0

data_BePtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.95
_cell_length_c   7.23
_cell_angle_alpha   105.11
_cell_angle_beta   90.0
_cell_angle_gamma   118.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePtPb2
_chemical_formula_sum   'Be1 Pt1 Pb2'
_cell_volume   91.17
_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  0.37  0.43  1.0
  Pt  Pt1  1  0.0  0.65  0.41  1.0
  Pb  Pb2  1  0.0  0.9  0.42  1.0
  Pb  Pb3  1  0.0  0.94  0.39  1.0

Be Pt Pb Pb