# generated using pymatgen
data_IN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00673900
_cell_length_b   6.91632200
_cell_length_c   8.68111900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IN4
_chemical_formula_sum   'I4 N16'
_cell_volume   300.61169071
_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
  I  I0  1  0.96675700  0.48962300  0.42791700  1.0
  I  I1  1  0.53324300  0.51037700  0.92791700  1.0
  I  I2  1  0.46675700  0.01037700  0.57208300  1.0
  I  I3  1  0.03324300  0.98962300  0.07208300  1.0
  N  N4  1  0.02402700  0.05247800  0.53500100  1.0
  N  N5  1  0.47597300  0.94752200  0.03500100  1.0
  N  N6  1  0.52402700  0.44752200  0.46499900  1.0
  N  N7  1  0.97597300  0.55247800  0.96499900  1.0
  N  N8  1  0.99562600  0.91023900  0.63119200  1.0
  N  N9  1  0.50437400  0.08976100  0.13119200  1.0
  N  N10  1  0.49562600  0.58976100  0.36880800  1.0
  N  N11  1  0.00437400  0.41023900  0.86880800  1.0
  N  N12  1  0.72029300  0.67570900  0.31041400  1.0
  N  N13  1  0.77970700  0.32429100  0.81041400  1.0
  N  N14  1  0.22029300  0.82429100  0.68958600  1.0
  N  N15  1  0.27970700  0.17570900  0.18958600  1.0
  N  N16  1  0.26465800  0.66439700  0.32249600  1.0
  N  N17  1  0.23534200  0.33560300  0.82249600  1.0
  N  N18  1  0.76465800  0.83560300  0.67750400  1.0
  N  N19  1  0.73534200  0.16439700  0.17750400  1.0