data_[Ti2Tl2Cr4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1591]
_cell_length_b [5.5625]
_cell_length_c [7.9658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiTlCr2O8]
_chemical_formula_sum '[Ti2 Tl2 Cr4 O16]'
_cell_volume [405.2071]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  4  0.1414  0.5000  0.7906  1.0
  O  O3  8  0.0434  0.2465  0.8320  1.0
  O  O4  4  0.1801  0.5000  0.5937  1.0
  O  O5  4  0.2032  0.0000  0.0840  1.0
]