data_[Sr6Tl26]
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 [Amm2]
_cell_length_a [9.7021]
_cell_length_b [10.0219]
_cell_length_c [10.4447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sr3Tl13]
_chemical_formula_sum '[Sr6 Tl26]'
_cell_volume [1015.5803]
_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  4  0.2589  0.0000  0.9830  1.0
  Sr  Sr1  2  0.0000  0.0000  0.2865  1.0
  Tl  Tl2  8  0.2550  0.2465  0.2463  1.0
  Tl  Tl3  4  0.0000  0.2439  0.0134  1.0
  Tl  Tl4  4  0.2541  0.0000  0.5140  1.0
  Tl  Tl5  4  0.5000  0.2359  0.4922  1.0
  Tl  Tl6  2  0.0000  0.0000  0.7384  1.0
  Tl  Tl7  2  0.5000  0.0000  0.2449  1.0
  Tl  Tl8  2  0.5000  0.0000  0.7398  1.0
]