# generated using pymatgen
data_LiIr2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72134050
_cell_length_b   5.86437386
_cell_length_c   5.04879400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.83050755
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIr2N3
_chemical_formula_sum   'Li2 Ir4 N6'
_cell_volume   145.45948700
_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
  Li  Li0  1  0.00000000  0.67017900  0.48019700  1
  Li  Li1  1  0.00000000  0.32982100  0.98019700  1
  Ir  Ir2  1  0.27575000  0.26705300  0.50518200  1
  Ir  Ir3  1  0.72425000  0.99130300  0.50518200  1
  Ir  Ir4  1  0.72425000  0.73294700  0.00518200  1
  Ir  Ir5  1  0.27575000  0.00869700  0.00518200  1
  N  N6  1  0.41300200  0.36997300  0.85781900  1
  N  N7  1  0.58699800  0.95697100  0.85781900  1
  N  N8  1  0.58699800  0.63002700  0.35781900  1
  N  N9  1  0.41300200  0.04302900  0.35781900  1
  N  N10  1  0.00000000  0.66435800  0.88180200  1
  N  N11  1  0.00000000  0.33564200  0.38180200  1
