data_[Ba4Tl2P2Pd12]
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
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.8705]
_cell_length_b [9.1860]
_cell_length_c [8.4027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba2TlPPd6]
_chemical_formula_sum '[Ba4 Tl2 P2 Pd12]'
_cell_volume [453.1261]
_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  4  0.0000  0.2324  0.2799  1.0
  Tl  Tl1  2  0.0000  0.5000  0.7089  1.0
  P  P2  2  0.0000  0.0000  0.7863  1.0
  Pd  Pd3  4  0.0000  0.2443  0.8979  1.0
  Pd  Pd4  4  0.2363  0.5000  0.0020  1.0
  Pd  Pd5  4  0.2469  0.0000  0.5673  1.0
]