data_[Ba4Ge2Ir2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3875]
_cell_length_b [4.3875]
_cell_length_c [15.6362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Ba2GeIrPd]
_chemical_formula_sum '[Ba4 Ge2 Ir2 Pd2]'
_cell_volume [300.9978]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.0969  1.0
  Ba  Ba1  2  0.0000  0.5000  0.6752  1.0
  Ge  Ge2  2  0.0000  0.5000  0.4188  1.0
  Ir  Ir3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.8819  1.0
]