data_[Ba2Zn4Ge3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5453]
_cell_length_b [4.5453]
_cell_length_c [10.7146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Zn4Ge3Pd]
_chemical_formula_sum '[Ba2 Zn4 Ge3 Pd1]'
_cell_volume [221.3597]
_cell_formula_units_Z [1]
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  0.7485  1.0
  Zn  Zn1  2  0.0000  0.5000  0.3785  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  1  0.5000  0.5000  0.0000  1.0
  Ge  Ge4  2  0.0000  0.5000  0.1311  1.0
  Ge  Ge5  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd6  1  0.5000  0.5000  0.5000  1.0
]