data_[In12Ge4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5850]
_cell_length_b [8.7525]
_cell_length_c [8.1373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In3GePd3]
_chemical_formula_sum '[In12 Ge4 Pd12]'
_cell_volume [539.9568]
_cell_formula_units_Z [4]
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  4  0.0000  0.1729  0.5000  1
  In  In1  4  0.0000  0.2555  0.0000  1
  In  In2  4  0.1095  0.5000  0.6759  1
  Ge  Ge3  4  0.2382  0.5000  0.0432  1
  Pd  Pd4  8  0.2133  0.3152  0.2860  1
  Pd  Pd5  4  0.0385  0.0000  0.2048  1
]