data_[Tl12Co6Pd6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9256]
_cell_length_b [6.9256]
_cell_length_c [35.5056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl2CoPdCl6]
_chemical_formula_sum '[Tl12 Co6 Pd6 Cl36]'
_cell_volume [1474.8377]
_cell_formula_units_Z [6]
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
[
  Tl  Tl0  6  0.0000  0.0000  0.1126  1.0
  Tl  Tl1  6  0.0000  0.0000  0.2976  1.0
  Co  Co2  6  0.0000  0.0000  0.4132  1.0
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1.0
  Pd  Pd4  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  18  0.0176  0.5088  0.2910  1.0
  Cl  Cl6  18  0.0241  0.5120  0.1186  1.0
]