# generated using pymatgen
data_CaIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35901463
_cell_length_b   5.35901400
_cell_length_c   5.35901370
_cell_angle_alpha   35.83868703
_cell_angle_beta   35.83868405
_cell_angle_gamma   35.83868624
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIrN2
_chemical_formula_sum   'Ca1 Ir1 N2'
_cell_volume   47.17790327
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir1  1  0.50000000  0.50000000  0.50000000  1.0
  N  N2  1  0.76911900  0.76911900  0.76911900  1.0
  N  N3  1  0.23088100  0.23088100  0.23088100  1.0