data_[Sr4Tl4I2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3253]
_cell_length_b [10.6860]
_cell_length_c [6.6769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Tl2IO6]
_chemical_formula_sum '[Sr4 Tl4 I2 O12]'
_cell_volume [433.5579]
_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  0.0000  0.3358  0.5000  1
  Tl  Tl1  4  0.0000  0.1668  0.0000  1
  I  I2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.1903  0.1374  0.6672  1
  O  O4  4  0.2063  0.0000  0.3072  1
]