data_[Sr8Tl12Pd20]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.4001]
_cell_length_b [13.5783]
_cell_length_c [6.1716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sr2Tl3Pd5]
_chemical_formula_sum '[Sr8 Tl12 Pd20]'
_cell_volume [955.3350]
_cell_formula_units_Z [4]
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  8  0.2366  0.3735  0.0000  1.0
  Tl  Tl1  8  0.0997  0.3540  0.5000  1.0
  Tl  Tl2  4  0.0000  0.0000  0.2500  1.0
  Pd  Pd3  8  0.0000  0.2073  0.2500  1.0
  Pd  Pd4  8  0.1671  0.1119  0.0000  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2500  1.0
]