data_[Tl2V6Cu10O26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2038]
_cell_length_b [8.3202]
_cell_length_c [10.9278]
_cell_angle_alpha [97.5622]
_cell_angle_beta [92.7375]
_cell_angle_gamma [90.6855]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlV3Cu5O13]
_chemical_formula_sum '[Tl2 V6 Cu10 O26]'
_cell_volume [558.4215]
_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  0.2493  0.5207  0.4059  1
  V  V1  2  0.2395  0.1205  0.4944  1
  V  V2  2  0.2567  0.4718  0.7915  1
  V  V3  2  0.2599  0.1795  0.1205  1
  Cu  Cu4  2  0.0028  0.1038  0.7728  1
  Cu  Cu5  2  0.2297  0.6054  0.1064  1
  Cu  Cu6  2  0.2554  0.8086  0.6482  1
  Cu  Cu7  2  0.2661  0.8544  0.9411  1
  Cu  Cu8  2  0.4949  0.8941  0.2299  1
  O  O9  2  0.0050  0.2259  0.4647  1
  O  O10  2  0.0211  0.1179  0.1865  1
  O  O11  2  0.0235  0.3417  0.7814  1
  O  O12  2  0.2327  0.8428  0.1197  1
  O  O13  2  0.2390  0.3815  0.1158  1
  O  O14  2  0.2431  0.0508  0.6589  1
  O  O15  2  0.2526  0.5790  0.6671  1
  O  O16  2  0.2547  0.9597  0.3822  1
  O  O17  2  0.2686  0.6170  0.9258  1
  O  O18  2  0.2726  0.0881  0.9678  1
  O  O19  2  0.4543  0.2447  0.4800  1
  O  O20  2  0.4776  0.3433  0.7832  1
  O  O21  2  0.4876  0.8687  0.7985  1
]