data_[In2Ge2Pd4]
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_1/m]
_cell_length_a [5.8676]
_cell_length_b [4.1382]
_cell_length_c [6.5138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InGePd2]
_chemical_formula_sum '[In2 Ge2 Pd4]'
_cell_volume [142.3629]
_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  0.1806  0.7500  0.9178  1
  Ge  Ge1  2  0.3555  0.2500  0.6474  1
  Pd  Pd2  2  0.0973  0.7500  0.3918  1
  Pd  Pd3  2  0.3614  0.2500  0.2543  1
]