data_BePdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   150.54
_cell_angle_beta   145.5
_cell_angle_gamma   45.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePdPb2
_chemical_formula_sum   'Be1 Pd1 Pb2'
_cell_volume   91.01
_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  0.7  1.0
  Pd  Pd3  1  0.0  0.04  0.0  1.0
  Pb  Pb1  1  0.0  0.04  0.13  1.0
  Pb  Pb2  1  0.0  0.0  0.21  1.0

data_BePdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.09
_cell_length_c   6.9
_cell_angle_alpha   107.25
_cell_angle_beta   104.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePdPb2
_chemical_formula_sum   'Be1 Pd1 Pb2'
_cell_volume   91.01
_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  0.7  0.7  1.0
  Pd  Pd1  1  0.96  0.96  0.96  1.0
  Pb  Pb2  1  0.0  0.21  0.21  1.0
  Pb  Pb3  1  0.96  0.08  0.08  1.0

Be Pd Pb Pb