data_[In2Ge6Pd2]
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 [P2/m]
_cell_length_a [4.5262]
_cell_length_b [3.8705]
_cell_length_c [11.8727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [InGe3Pd]
_chemical_formula_sum '[In2 Ge6 Pd2]'
_cell_volume [207.0729]
_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  0.1675  0.5000  0.3477  1
  Ge  Ge1  2  0.0023  0.0000  0.8898  1
  Ge  Ge2  2  0.2742  0.0000  0.5649  1
  Ge  Ge3  2  0.3816  0.5000  0.8992  1
  Pd  Pd4  2  0.4763  0.0000  0.2293  1
]