data_[Ag4B4Te16C4O20F80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  B  2.0400  0.8500  0.4100
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.2400]
_cell_length_b [16.6294]
_cell_length_c [14.7891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AgBTe4C(OF4)5]
_chemical_formula_sum '[Ag4 B4 Te16 C4 O20 F80]'
_cell_volume [2114.7619]
_cell_formula_units_Z [4]
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
[
  Ag  Ag0  4  0.3046  0.6755  0.9513  1
  B  B1  4  0.4105  0.2383  0.5511  1
  Te  Te2  4  0.1239  0.1479  0.9614  1
  Te  Te3  4  0.2674  0.1059  0.3715  1
  Te  Te4  4  0.3227  0.6333  0.3311  1
  Te  Te5  4  0.4801  0.1380  0.7443  1
  C  C6  4  0.1215  0.6246  0.9484  1
  O  O7  4  0.0206  0.5923  0.9447  1
  O  O8  4  0.2961  0.2039  0.9775  1
  O  O9  4  0.3824  0.2163  0.6346  1
  O  O10  4  0.4218  0.1664  0.4918  1
  O  O11  4  0.4243  0.7309  0.4038  1
  F  F12  4  0.0085  0.1745  0.8142  1
  F  F13  4  0.0432  0.2379  0.9921  1
  F  F14  4  0.0507  0.5908  0.5640  1
  F  F15  4  0.1182  0.1211  0.4063  1
  F  F16  4  0.1247  0.0417  0.2554  1
  F  F17  4  0.1777  0.6531  0.3689  1
  F  F18  4  0.1909  0.0544  0.9285  1
  F  F19  4  0.1912  0.1943  0.2787  1
  F  F20  4  0.1951  0.6896  0.2023  1
  F  F21  4  0.2128  0.5401  0.2594  1
  F  F22  4  0.2250  0.1161  0.1056  1
  F  F23  4  0.3254  0.1518  0.7736  1
  F  F24  4  0.3313  0.0105  0.4535  1
  F  F25  4  0.3568  0.6194  0.7777  1
  F  F26  4  0.3648  0.0535  0.6499  1
  F  F27  4  0.3991  0.7168  0.6507  1
  F  F28  4  0.4157  0.0856  0.3374  1
  F  F29  4  0.4251  0.5621  0.6449  1
  F  F30  4  0.4441  0.5723  0.4553  1
  F  F31  4  0.4597  0.6128  0.2873  1
]