# generated using pymatgen
data_ZrIN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75824003
_cell_length_b   3.75824003
_cell_length_c   11.05144429
_cell_angle_alpha   80.21020242
_cell_angle_beta   80.21020242
_cell_angle_gamma   59.99999948
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIN
_chemical_formula_sum   'Zr2 I2 N2'
_cell_volume   132.55079221
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.79387900  0.79387900  0.61836300  1.0
  Zr  Zr1  1  0.20612100  0.20612100  0.38163700  1.0
  I  I2  1  0.39225200  0.39225200  0.82324400  1.0
  I  I3  1  0.60774800  0.60774800  0.17675600  1.0
  N  N4  1  0.13947200  0.13947200  0.58158400  1.0
  N  N5  1  0.86052800  0.86052800  0.41841600  1.0