data_[Y4Tl4I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [6.0284]
_cell_length_b [10.7689]
_cell_length_c [6.7707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Tl2IO6]
_chemical_formula_sum '[Y4 Tl4 I2 O12]'
_cell_volume [422.1623]
_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
[
  Y  Y0  4  0.0000  0.3330  0.5000  1
  Tl  Tl1  4  0.0000  0.1645  0.0000  1
  I  I2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.2190  0.1758  0.6721  1
  O  O4  4  0.2338  0.5000  0.6498  1
]