data_[Al2In6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8121]
_cell_length_b [4.5988]
_cell_length_c [9.8691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al(InPd2)3]
_chemical_formula_sum '[Al2 In6 Pd12]'
_cell_volume [335.3857]
_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
[
  Al  Al0  2  0.0446  0.2500  0.4062  1
  In  In1  2  0.2132  0.2500  0.0139  1
  In  In2  2  0.3706  0.7500  0.7878  1
  In  In3  2  0.4769  0.2500  0.6176  1
  Pd  Pd4  2  0.0710  0.7500  0.8647  1
  Pd  Pd5  2  0.1469  0.7500  0.1814  1
  Pd  Pd6  2  0.1476  0.2500  0.6838  1
  Pd  Pd7  2  0.2265  0.7500  0.4934  1
  Pd  Pd8  2  0.3208  0.2500  0.3237  1
  Pd  Pd9  2  0.4578  0.7500  0.0804  1
]