data_[In2Cu4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0362]
_cell_length_b [3.9832]
_cell_length_c [6.2706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In(CuPd4)2]
_chemical_formula_sum '[In2 Cu4 Pd16]'
_cell_volume [335.7433]
_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  0.0000  0.5000  0.0000  1.0
  Cu  Cu1  4  0.2274  0.0000  0.6379  1.0
  Pd  Pd2  4  0.0482  0.0000  0.7266  1.0
  Pd  Pd3  4  0.0973  0.5000  0.4632  1.0
  Pd  Pd4  4  0.1428  0.0000  0.1989  1.0
  Pd  Pd5  4  0.1837  0.5000  0.9151  1.0
]