data_[Tl12Cu6Pd6F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0360]
_cell_length_b [6.0360]
_cell_length_c [30.8674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl2CuPdF6]
_chemical_formula_sum '[Tl12 Cu6 Pd6 F36]'
_cell_volume [973.9203]
_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  0.1269  1
  Tl  Tl1  6  0.0000  0.0000  0.2835  1
  Cu  Cu2  6  0.0000  0.0000  0.4066  1
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1
  Pd  Pd4  3  0.0000  0.0000  0.0000  1
  F  F5  18  0.0020  0.5010  0.2940  1
  F  F6  18  0.0236  0.5118  0.1182  1
]