data_[Tl3Cr6Cu3O24]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.0507]
_cell_length_b [5.0507]
_cell_length_c [24.7564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [TlCr2CuO8]
_chemical_formula_sum '[Tl3 Cr6 Cu3 O24]'
_cell_volume [546.9177]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1
  Cr  Cr1  6  0.0000  0.0000  0.2650  1
  Cu  Cu2  3  0.0000  0.0000  0.0000  1
  O  O3  18  0.0001  0.3690  0.3810  1
  O  O4  6  0.0000  0.0000  0.1987  1
]