data_Be12Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   98.16
_cell_angle_beta   98.16
_cell_angle_gamma   135.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be12Pd
_chemical_formula_sum   'Be12 Pd1'
_cell_volume   110.62
_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  0.82  0.82  0.95  1.0
  Be  Be1  1  0.82  0.18  0.05  1.0
  Be  Be2  1  0.18  0.82  0.05  1.0
  Be  Be3  1  0.82  0.82  0.05  1.0
  Be  Be4  1  0.74  0.0  0.0  1.0
  Be  Be5  1  0.0  0.74  0.0  1.0
  Be  Be6  1  0.0  0.53  0.0  1.0
  Be  Be7  1  0.53  0.0  0.0  1.0
  Be  Be8  1  0.64  0.0  0.09  1.0
  Be  Be9  1  0.0  0.64  0.09  1.0
  Be  Be10  1  0.64  1.0  0.0  1.0
  Be  Be11  1  1.0  0.64  0.0  1.0
  Pd  Pd12  1  0.0  0.0  0.0  1.0

data_Be12Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   10.29
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   112.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be12Pd
_chemical_formula_sum   'Be24 Pd2'
_cell_volume   221.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.05  0.18  0.05  1.0
  Be  Be1  4  0.13  0.13  -0.0  1.0
  Be  Be2  4  0.18  0.18  -0.0  1.0
  Be  Be3  4  0.23  0.23  -0.0  1.0
  Be  Be4  4  0.27  0.18  0.09  1.0
  Be  Be5  2  0.14  0.0  0.95  1.0
  Be  Be6  2  0.23  0.0  0.05  1.0
  Pd  Pd7  2  0.0  0.0  0.0  1.0

Be Be Be Be Be Be Be Be Be Be Be Be Pd