data_[Sr8Tl20Ag12]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.6389]
_cell_length_b [13.2743]
_cell_length_c [6.8732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sr2Tl5Ag3]
_chemical_formula_sum '[Sr8 Tl20 Ag12]'
_cell_volume [1153.1396]
_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  0.2388  0.3655  0.5000  1.0
  Tl  Tl1  8  0.0000  0.2411  0.2500  1.0
  Tl  Tl2  8  0.1499  0.1022  0.5000  1.0
  Tl  Tl3  4  0.0000  0.5000  0.2500  1.0
  Ag  Ag4  8  0.1326  0.3689  0.0000  1.0
  Ag  Ag5  4  0.0000  0.0000  0.2500  1.0
]