# generated using pymatgen
data_TeC16(I2N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.70161243
_cell_length_b   9.22656596
_cell_length_c   9.70161243
_cell_angle_alpha   121.71829910
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.71829910
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeC16(I2N)2
_chemical_formula_sum   'Te1 C16 I4 N2'
_cell_volume   580.72821810
_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
  Te  Te0  1  0.00000000  0.00000000  0.00000000  1.0
  C  C1  1  0.31897838  0.63795677  0.70067926  1.0
  C  C2  1  0.31897838  0.63795677  0.93727750  1.0
  C  C3  1  0.70067926  0.63795677  0.31897838  1.0
  C  C4  1  0.93727750  0.63795677  0.31897838  1.0
  C  C5  1  0.68102162  0.36204323  0.29932074  1.0
  C  C6  1  0.68102162  0.36204323  0.06272250  1.0
  C  C7  1  0.29932074  0.36204323  0.68102162  1.0
  C  C8  1  0.06272250  0.36204323  0.68102162  1.0
  C  C9  1  0.38873072  0.77746143  0.68013857  1.0
  C  C10  1  0.38873072  0.77746143  0.09732186  1.0
  C  C11  1  0.68013857  0.77746143  0.38873072  1.0
  C  C12  1  0.09732186  0.77746143  0.38873072  1.0
  C  C13  1  0.61126928  0.22253857  0.31986143  1.0
  C  C14  1  0.61126928  0.22253857  0.90267814  1.0
  C  C15  1  0.31986143  0.22253857  0.61126928  1.0
  C  C16  1  0.90267814  0.22253857  0.61126928  1.0
  I  I17  1  0.32249714  0.00000000  0.67750286  1.0
  I  I18  1  0.67750286  0.00000000  0.32249714  1.0
  I  I19  1  0.67750286  1.00000000  0.67750286  1.0
  I  I20  1  0.32249714  0.00000000  0.32249714  1.0
  N  N21  1  0.25000000  0.50000000  0.75000000  1.0
  N  N22  1  0.75000000  0.50000000  0.25000000  1.0