data_[Tl6Bi2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1619]
_cell_length_b [4.1859]
_cell_length_c [10.4559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl3BiPd6]
_chemical_formula_sum '[Tl6 Bi2 Pd12]'
_cell_volume [391.1302]
_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
[
  Tl  Tl0  2  0.1656  0.2500  0.0465  1
  Tl  Tl1  2  0.4211  0.7500  0.8639  1
  Tl  Tl2  2  0.4604  0.2500  0.6051  1
  Bi  Bi3  2  0.0284  0.2500  0.3805  1
  Pd  Pd4  2  0.0932  0.7500  0.2144  1
  Pd  Pd5  2  0.1261  0.7500  0.8767  1
  Pd  Pd6  2  0.2082  0.2500  0.7114  1
  Pd  Pd7  2  0.2448  0.7500  0.5066  1
  Pd  Pd8  2  0.3208  0.2500  0.3259  1
  Pd  Pd9  2  0.3712  0.7500  0.1387  1
]