data_[Tl2Cr2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0917]
_cell_length_b [9.0833]
_cell_length_c [6.3240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlCrIO6]
_chemical_formula_sum '[Tl2 Cr2 I2 O12]'
_cell_volume [292.4653]
_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
[
  Tl  Tl0  2  0.0000  0.0015  0.0000  1.0
  Cr  Cr1  2  0.0000  0.6592  0.5000  1.0
  I  I2  2  0.0000  0.3332  0.5000  1.0
  O  O3  4  0.1140  0.4967  0.3290  1.0
  O  O4  4  0.1966  0.8064  0.3264  1.0
  O  O5  4  0.1996  0.1991  0.3266  1.0
]