data_[Te4As2S8N8Cl6F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.1882]
_cell_length_b [10.6189]
_cell_length_c [10.6782]
_cell_angle_alpha [108.3745]
_cell_angle_beta [114.8408]
_cell_angle_gamma [91.4492]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Te2AsS4N4(ClF2)3]
_chemical_formula_sum '[Te4 As2 S8 N8 Cl6 F12]'
_cell_volume [978.0893]
_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
[
  Te  Te0  1  0.0128  0.7236  0.2566  1
  Te  Te1  1  0.4270  0.6773  0.1513  1
  Te  Te2  1  0.5566  0.3101  0.8489  1
  Te  Te3  1  0.9853  0.2758  0.7366  1
  As  As4  1  0.2412  0.2916  0.2495  1
  As  As5  1  0.7676  0.6740  0.7555  1
  S  S6  1  0.0195  0.3330  0.5415  1
  S  S7  1  0.2341  0.8827  0.0418  1
  S  S8  1  0.2686  0.7570  0.5629  1
  S  S9  1  0.4797  0.7998  0.0096  1
  S  S10  1  0.5197  0.1959  0.0053  1
  S  S11  1  0.7237  0.2215  0.4276  1
  S  S12  1  0.7725  0.1300  0.9742  1
  S  S13  1  0.9653  0.6855  0.4567  1
  N  N14  1  0.1333  0.7187  0.5878  1
  N  N15  1  0.2260  0.7623  0.4066  1
  N  N16  1  0.2494  0.7720  0.1121  1
  N  N17  1  0.3542  0.8935  0.9866  1
  N  N18  1  0.6534  0.1118  0.0279  1
  N  N19  1  0.7408  0.2298  0.8885  1
  N  N20  1  0.7725  0.2231  0.5880  1
  N  N21  1  0.8545  0.2806  0.4081  1
  Cl  Cl22  1  0.0373  0.0542  0.7058  1
  Cl  Cl23  1  0.2917  0.4051  0.8630  1
  Cl  Cl24  1  0.4074  0.1394  0.6147  1
  Cl  Cl25  1  0.5865  0.8411  0.3925  1
  Cl  Cl26  1  0.6672  0.5868  0.1228  1
  Cl  Cl27  1  0.9546  0.9619  0.3194  1
  F  F28  1  0.0593  0.2945  0.2284  1
  F  F29  1  0.1685  0.1986  0.0554  1
  F  F30  1  0.2377  0.1376  0.2813  1
  F  F31  1  0.2514  0.4433  0.2143  1
  F  F32  1  0.3107  0.3864  0.4413  1
  F  F33  1  0.4237  0.2843  0.2702  1
  F  F34  1  0.6149  0.7491  0.7101  1
  F  F35  1  0.7022  0.5692  0.5718  1
  F  F36  1  0.7726  0.5343  0.8062  1
  F  F37  1  0.8321  0.7786  0.9400  1
  F  F38  1  0.9252  0.7374  0.7555  1
  F  F39  1  0.9848  0.5234  0.1588  1
]