# generated using pymatgen
data_IN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94819000
_cell_length_b   6.04967565
_cell_length_c   7.01215081
_cell_angle_alpha   89.53319393
_cell_angle_beta   89.83748819
_cell_angle_gamma   89.59699160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IN3
_chemical_formula_sum   'I4 N12'
_cell_volume   252.31399294
_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  0.62887600  0.00863600  0.77104900  1.0
  I  I1  1  0.12636800  0.98856300  0.73478500  1.0
  I  I2  1  0.37112400  0.99136400  0.22895100  1.0
  I  I3  1  0.87363200  0.01143700  0.26521500  1.0
  N  N4  1  0.04042000  0.54764100  0.41855500  1.0
  N  N5  1  0.10383500  0.47746400  0.01998200  1.0
  N  N6  1  0.89616500  0.52253600  0.98001800  1.0
  N  N7  1  0.95958000  0.45235900  0.58144500  1.0
  N  N8  1  0.60253400  0.53484500  0.48948800  1.0
  N  N9  1  0.46051500  0.53627500  0.91505200  1.0
  N  N10  1  0.24922500  0.55030800  0.89104000  1.0
  N  N11  1  0.74881200  0.43053900  0.59718100  1.0
  N  N12  1  0.39746600  0.46515500  0.51051200  1.0
  N  N13  1  0.25118800  0.56946100  0.40281900  1.0
  N  N14  1  0.53948500  0.46372500  0.08494800  1.0
  N  N15  1  0.75077500  0.44969200  0.10896000  1.0