data_[Sr12Tl36Cd6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5507]
_cell_length_b [7.5507]
_cell_length_c [38.4965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Tl6CdPd]
_chemical_formula_sum '[Sr12 Tl36 Cd6 Pd6]'
_cell_volume [1900.7735]
_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
[
  Sr  Sr0  6  0.0000  0.0000  0.1303  1
  Sr  Sr1  6  0.0000  0.0000  0.3038  1
  Tl  Tl2  18  0.0031  0.5016  0.7178  1
  Tl  Tl3  18  0.0575  0.5287  0.8786  1
  Cd  Cd4  3  -0.0000  -0.0000  0.5000  1
  Cd  Cd5  3  0.0000  0.0000  0.0000  1
  Pd  Pd6  6  0.0000  0.0000  0.4280  1
]