data_[Sr12Tl10]
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 [Immm]
_cell_length_a [5.7578]
_cell_length_b [8.2029]
_cell_length_c [17.2900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr6Tl5]
_chemical_formula_sum '[Sr12 Tl10]'
_cell_volume [816.6183]
_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
[
  Sr  Sr0  8  0.0000  0.2486  0.1635  1
  Sr  Sr1  4  0.0000  0.2490  0.5000  1
  Tl  Tl2  4  0.0000  0.0000  0.3284  1
  Tl  Tl3  4  0.0000  0.5000  0.3294  1
  Tl  Tl4  2  0.0000  0.5000  0.0000  1
]