data_[In2Ge4Pd14]
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 [I4/mmm]
_cell_length_a [4.0767]
_cell_length_b [4.0767]
_cell_length_c [20.0328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [InGe2Pd7]
_chemical_formula_sum '[In2 Ge4 Pd14]'
_cell_volume [332.9411]
_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  0.0000  0.0000  1
  Ge  Ge1  4  0.0000  0.0000  0.3265  1
  Pd  Pd2  8  0.0000  0.5000  0.1014  1
  Pd  Pd3  4  0.0000  0.5000  0.2500  1
  Pd  Pd4  2  0.0000  0.0000  0.5000  1
]