data_[Sb2Pd30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5217]
_cell_length_b [2.8138]
_cell_length_c [43.7474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SbPd15]
_chemical_formula_sum '[Sb2 Pd30]'
_cell_volume [679.6970]
_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
[
  Sb  Sb0  2  0.1250  0.7500  0.1626  1
  Pd  Pd1  2  0.1249  0.7500  0.7003  1
  Pd  Pd2  2  0.1249  0.7500  0.5221  1
  Pd  Pd3  2  0.1250  0.7500  0.3446  1
  Pd  Pd4  2  0.1250  0.7500  0.4336  1
  Pd  Pd5  2  0.1250  0.7500  0.2542  1
  Pd  Pd6  2  0.1251  0.7500  0.6109  1
  Pd  Pd7  2  0.1265  0.7500  0.7918  1
  Pd  Pd8  2  0.3749  0.2500  0.2997  1
  Pd  Pd9  2  0.3749  0.2500  0.4779  1
  Pd  Pd10  2  0.3750  0.2500  0.5664  1
  Pd  Pd11  2  0.3750  0.2500  0.8384  1
  Pd  Pd12  2  0.3750  0.2500  0.6555  1
  Pd  Pd13  2  0.3751  0.2500  0.3891  1
  Pd  Pd14  2  0.3751  0.2500  0.7458  1
  Pd  Pd15  2  0.3764  0.2500  0.2082  1
]