data_[In4Ge12Pd24]
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 [Cmc2_1]
_cell_length_a [9.1092]
_cell_length_b [11.9575]
_cell_length_c [6.2493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In(GePd2)3]
_chemical_formula_sum '[In4 Ge12 Pd24]'
_cell_volume [680.6933]
_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  0.2085  0.0335  1.0
  Ge  Ge1  8  0.1689  0.1142  0.4515  1.0
  Ge  Ge2  4  0.0000  0.4280  0.3395  1.0
  Pd  Pd3  8  0.1903  0.4616  0.6384  1.0
  Pd  Pd4  8  0.2283  0.3007  0.2880  1.0
  Pd  Pd5  4  0.0000  0.0249  0.7529  1.0
  Pd  Pd6  4  0.0000  0.2678  0.6037  1.0
]