# generated using pymatgen
data_Li3IrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51680393
_cell_length_b   9.83435814
_cell_length_c   9.83435778
_cell_angle_alpha   89.99999960
_cell_angle_beta   125.26439087
_cell_angle_gamma   54.73561062
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3IrN2
_chemical_formula_sum   'Li24 Ir8 N16'
_cell_volume   475.56297344
_cell_formula_units_Z   8
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  0.23023882  0.03188202  0.99063268  1
  Li  Li1  1  0.76976118  0.76212084  0.50936732  1
  Li  Li2  1  0.76976118  0.46811798  0.76039385  1
  Li  Li3  1  0.23023882  0.73787916  0.73960615  1
  Li  Li4  1  0.24897447  0.76039385  0.27148816  1
  Li  Li5  1  0.75102553  0.73960615  0.02251370  1
  Li  Li6  1  0.24897447  0.99063268  0.47748630  1
  Li  Li7  1  0.75102553  0.50936732  0.22851184  1
  Li  Li8  1  0.70599814  0.02251370  0.73787916  1
  Li  Li9  1  0.70599814  0.27148816  0.46811798  1
  Li  Li10  1  0.29400186  0.22851184  0.76212084  1
  Li  Li11  1  0.29400186  0.47748630  0.03188202  1
  Li  Li12  1  0.76976118  0.96811798  0.00936732  1
  Li  Li13  1  0.23023882  0.23787916  0.49063268  1
  Li  Li14  1  0.23023882  0.53188202  0.23960615  1
  Li  Li15  1  0.76976118  0.26212084  0.26039385  1
  Li  Li16  1  0.75102553  0.23960615  0.72851184  1
  Li  Li17  1  0.24897447  0.26039385  0.97748630  1
  Li  Li18  1  0.75102553  0.00936732  0.52251370  1
  Li  Li19  1  0.24897447  0.49063268  0.77148816  1
  Li  Li20  1  0.29400186  0.97748630  0.26212084  1
  Li  Li21  1  0.29400186  0.72851184  0.53188202  1
  Li  Li22  1  0.70599814  0.77148816  0.23787916  1
  Li  Li23  1  0.70599814  0.52251370  0.96811798  1
  Ir  Ir24  1  0.23455222  1.00000000  0.73455222  1
  Ir  Ir25  1  0.76544778  0.73455222  0.76544778  1
  Ir  Ir26  1  0.76544778  0.50000000  0.50000000  1
  Ir  Ir27  1  0.23455222  0.76544778  -0.00000000  1
  Ir  Ir28  1  0.76544778  0.00000000  0.26544778  1
  Ir  Ir29  1  0.23455222  0.26544778  0.23455222  1
  Ir  Ir30  1  0.23455222  0.50000000  0.50000000  1
  Ir  Ir31  1  0.76544778  0.23455222  -0.00000000  1
  N  N32  1  0.00000000  -0.00000000  0.50000000  1
  N  N33  1  0.00000000  0.50000000  -0.00000000  1
  N  N34  1  0.00000000  0.50000000  0.50000000  1
  N  N35  1  0.00000000  -0.00000000  -0.00000000  1
  N  N36  1  0.50000000  0.98467014  0.75000000  1
  N  N37  1  0.50000000  0.51532986  0.25000000  1
  N  N38  1  0.00000000  0.25000000  0.73467014  1
  N  N39  1  1.00000000  0.75000000  0.76532986  1
  N  N40  1  0.53066072  0.73467014  0.51532986  1
  N  N41  1  0.46933928  0.76532986  0.98467014  1
  N  N42  1  0.50000000  0.01532986  0.25000000  1
  N  N43  1  0.50000000  0.48467014  0.75000000  1
  N  N44  1  1.00000000  0.75000000  0.26532986  1
  N  N45  1  0.00000000  0.25000000  0.23467014  1
  N  N46  1  0.46933928  0.26532986  0.48467014  1
  N  N47  1  0.53066072  0.23467014  0.01532986  1
