data_[K32Re48Te8C48S56N48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Re  1.9000  1.3500  0.7125
  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
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [17.5688]
_cell_length_b [17.5688]
_cell_length_c [17.5688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [K4Re6TeC6S7N6]
_chemical_formula_sum '[K32 Re48 Te8 C48 S56 N48]'
_cell_volume [5422.8139]
_cell_formula_units_Z [8]
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
[
  K  K0  12  0.0000  0.2500  0.4427  1
  K  K1  12  0.0000  0.2500  0.9431  1
  K  K2  8  0.0003  0.0003  0.0003  1
  Re  Re3  24  0.1739  0.1834  0.2843  1
  Re  Re4  24  0.1747  0.3157  0.7864  1
  Te  Te5  8  0.1409  0.3591  0.6409  1
  C  C6  24  0.0923  0.1079  0.3285  1
  C  C7  24  0.0929  0.3916  0.8297  1
  S  S8  24  0.0878  0.2908  0.2726  1
  S  S9  24  0.0893  0.2078  0.7741  1
  S  S10  8  0.1515  0.1515  0.1515  1
  N  N11  24  0.0480  0.9349  0.1447  1
  N  N12  24  0.0483  0.4351  0.8550  1
]