data_[Te4C16S16N32F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8113]
_cell_length_b [8.5108]
_cell_length_c [22.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TeC4S4(N2F)4]
_chemical_formula_sum '[Te4 C16 S16 N32 F16]'
_cell_volume [1832.5280]
_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
[
  Te  Te0  4  0.2500  0.2500  0.5000  1
  C  C1  8  0.1036  0.0475  0.3590  1
  C  C2  8  0.1153  0.4402  0.8794  1
  S  S3  8  0.2148  0.4041  0.6047  1
  S  S4  8  0.2239  0.0441  0.0194  1
  N  N5  8  0.0096  0.1257  0.3789  1
  N  N6  8  0.0749  0.0630  0.8141  1
  N  N7  8  0.0868  0.4884  0.8290  1
  N  N8  8  0.1346  0.3922  0.9366  1
  F  F9  8  0.1816  0.2944  0.6599  1
  F  F10  8  0.1994  0.1215  0.8021  1
]