data_[Sr10Tl2I10]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1025]
_cell_length_b [6.6693]
_cell_length_c [9.7725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr5TlI5]
_chemical_formula_sum '[Sr10 Tl2 I10]'
_cell_volume [995.1150]
_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  0.1441  0.0000  0.8414  1
  Sr  Sr1  4  0.1467  0.0000  0.3071  1
  Sr  Sr2  2  0.0000  0.5000  0.0000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  I  I4  4  0.1797  0.5000  0.8386  1
  I  I5  4  0.2008  0.5000  0.3437  1
  I  I6  2  0.0000  0.0000  0.5000  1
]