data_[In2Pd6Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8891]
_cell_length_b [4.0117]
_cell_length_c [8.9542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In(PdPt2)3]
_chemical_formula_sum '[In2 Pd6 Pt12]'
_cell_volume [319.2933]
_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
[
  In  In0  2  0.0603  0.2500  0.3874  1
  Pd  Pd1  2  0.2518  0.2500  0.9959  1
  Pd  Pd2  2  0.3460  0.7500  0.8000  1
  Pd  Pd3  2  0.4486  0.2500  0.6019  1
  Pt  Pt4  2  0.0484  0.7500  0.9034  1
  Pt  Pt5  2  0.1448  0.2500  0.6972  1
  Pt  Pt6  2  0.1585  0.7500  0.1951  1
  Pt  Pt7  2  0.2515  0.7500  0.5012  1
  Pt  Pt8  2  0.3585  0.2500  0.2972  1
  Pt  Pt9  2  0.4517  0.7500  0.0974  1
]