data_[Ba2Tl1Ge3Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  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 [4.6849]
_cell_length_b [4.6849]
_cell_length_c [10.3513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2TlGe3Pd4]
_chemical_formula_sum '[Ba2 Tl1 Ge3 Pd4]'
_cell_volume [227.1974]
_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  0.7548  1.0
  Tl  Tl1  1  0.5000  0.5000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.5000  0.1073  1.0
  Ge  Ge3  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.3529  1.0
  Pd  Pd5  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd6  1  0.5000  0.5000  0.0000  1.0
]