data_BePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   6.63
_cell_angle_alpha   122.26
_cell_angle_beta   122.26
_cell_angle_gamma   32.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePd2
_chemical_formula_sum   'Be2 Pd4'
_cell_volume   77.27
_cell_formula_units_Z   2
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  0.61  0.0  0.78  1.0
  Be  Be1  1  0.48  0.0  0.73  1.0
  Pd  Pd2  1  0.9  0.0  0.1  1.0
  Pd  Pd3  1  0.47  0.0  0.07  1.0
  Pd  Pd4  1  0.62  0.0  0.44  1.0
  Pd  Pd5  1  0.19  0.0  0.41  1.0

data_BePd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.87
_cell_length_b   5.1
_cell_length_c   5.82
_cell_angle_alpha   74.51
_cell_angle_beta   75.76
_cell_angle_gamma   73.68
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BePd2
_chemical_formula_sum   'Be2 Pd4'
_cell_volume   77.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.46  0.48  1.0
  Pd  Pd1  2  0.0  0.11  0.82  1.0
  Pd  Pd2  2  0.0  0.49  0.16  1.0

Be Be Pd Pd Pd Pd