data_[Sr20Tl8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.9860]
_cell_length_b [7.6020]
_cell_length_c [8.7515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr5Tl2]
_chemical_formula_sum '[Sr20 Tl8]'
_cell_volume [1246.4643]
_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  0.0870  0.1218  0.9251  1.0
  Sr  Sr1  8  0.2195  0.4234  0.3202  1.0
  Sr  Sr2  4  0.0000  0.4207  0.2500  1.0
  Tl  Tl3  8  0.1106  0.2876  0.5768  1.0
]