data_[Zn3Cu10Te6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.4632]
_cell_length_b [8.5033]
_cell_length_c [10.4734]
_cell_angle_alpha [83.7179]
_cell_angle_beta [82.6064]
_cell_angle_gamma [61.1882]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Zn3Cu10(TeO6)6]
_chemical_formula_sum '[Zn3 Cu10 Te6 O36]'
_cell_volume [653.9503]
_cell_formula_units_Z [1]
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
[
  Zn  Zn0  1  0.1810  0.8587  0.7208  1
  Zn  Zn1  1  0.4431  0.1456  0.6844  1
  Zn  Zn2  1  0.4739  0.5666  0.2212  1
  Cu  Cu3  1  0.1272  0.1920  0.4847  1
  Cu  Cu4  1  0.2759  0.0315  0.2042  1
  Cu  Cu5  1  0.3235  0.3507  0.2955  1
  Cu  Cu6  1  0.4730  0.2066  0.0143  1
  Cu  Cu7  1  0.6426  0.3590  0.4990  1
  Cu  Cu8  1  0.6448  0.6639  0.7075  1
  Cu  Cu9  1  0.8084  0.5211  0.9907  1
  Cu  Cu10  1  0.8119  0.8670  0.5046  1
  Cu  Cu11  1  0.9571  0.7175  0.7962  1
  Cu  Cu12  1  0.9643  0.0320  0.9998  1
  Te  Te13  1  0.1327  0.5512  0.0487  1
  Te  Te14  1  0.1512  0.5301  0.5441  1
  Te  Te15  1  0.4546  0.8680  0.9533  1
  Te  Te16  1  0.4827  0.8409  0.4493  1
  Te  Te17  1  0.8028  0.2006  0.7520  1
  Te  Te18  1  0.8122  0.1877  0.2503  1
  O  O19  1  0.0330  0.4834  0.9068  1
  O  O20  1  0.0347  0.0938  0.8286  1
  O  O21  1  0.0476  0.7795  0.9422  1
  O  O22  1  0.0484  0.1227  0.3049  1
  O  O23  1  0.0550  0.7544  0.4418  1
  O  O24  1  0.0901  0.4210  0.4072  1
  O  O25  1  0.2013  0.3017  0.6320  1
  O  O26  1  0.2086  0.6128  0.6884  1
  O  O27  1  0.2162  0.6059  0.1924  1
  O  O28  1  0.2226  0.9534  0.0571  1
  O  O29  1  0.2463  0.9510  0.5526  1
  O  O30  1  0.2599  0.2939  0.1325  1
  O  O31  1  0.3463  0.0963  0.3639  1
  O  O32  1  0.3644  0.4434  0.9460  1
  O  O33  1  0.3881  0.4319  0.4417  1
  O  O34  1  0.3926  0.7822  0.3156  1
  O  O35  1  0.3992  0.7809  0.8128  1
  O  O36  1  0.4101  0.0926  0.8665  1
  O  O37  1  0.5085  0.9728  0.0947  1
  O  O38  1  0.5578  0.2942  0.1957  1
  O  O39  1  0.5591  0.6344  0.0515  1
  O  O40  1  0.5601  0.6178  0.5575  1
  O  O41  1  0.5747  0.9183  0.5923  1
  O  O42  1  0.5809  0.2800  0.6674  1
  O  O43  1  0.7075  0.7408  0.8635  1
  O  O44  1  0.7098  0.4211  0.3289  1
  O  O45  1  0.7099  0.8020  0.3664  1
  O  O46  1  0.7143  0.1291  0.9213  1
  O  O47  1  0.7336  0.4350  0.8083  1
  O  O48  1  0.7389  0.1108  0.4238  1
  O  O49  1  0.8752  0.2708  0.0735  1
  O  O50  1  0.8858  0.2661  0.5765  1
  O  O51  1  0.8893  0.9718  0.1635  1
  O  O52  1  0.8950  0.6518  0.6300  1
  O  O53  1  0.8977  0.9504  0.6934  1
  O  O54  1  0.9018  0.5874  0.1293  1
]