# generated using pymatgen
data_Li6IrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74537100
_cell_length_b   6.74537100
_cell_length_c   4.87732400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6IrN4
_chemical_formula_sum   'Li12 Ir2 N8'
_cell_volume   221.91838797
_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  0.50000000  0.60095900  1
  Li  Li1  1  0.50000000  0.00000000  0.89904100  1
  Li  Li2  1  0.50000000  0.00000000  0.39904100  1
  Li  Li3  1  0.00000000  0.50000000  0.10095900  1
  Li  Li4  1  0.21241400  0.21241400  0.50000000  1
  Li  Li5  1  0.78758600  0.78758600  0.50000000  1
  Li  Li6  1  0.71241400  0.71241400  0.00000000  1
  Li  Li7  1  0.28758600  0.28758600  0.00000000  1
  Li  Li8  1  0.78758600  0.21241400  0.50000000  1
  Li  Li9  1  0.21241400  0.78758600  0.50000000  1
  Li  Li10  1  0.28758600  0.71241400  0.00000000  1
  Li  Li11  1  0.71241400  0.28758600  0.00000000  1
  Ir  Ir12  1  0.50000000  0.50000000  0.50000000  1
  Ir  Ir13  1  0.00000000  0.00000000  0.00000000  1
  N  N14  1  0.24812200  0.50000000  0.31781900  1
  N  N15  1  0.75187800  0.50000000  0.31781900  1
  N  N16  1  0.74812200  0.00000000  0.18218100  1
  N  N17  1  0.25187800  0.00000000  0.18218100  1
  N  N18  1  0.50000000  0.24812200  0.68218100  1
  N  N19  1  0.50000000  0.75187800  0.68218100  1
  N  N20  1  0.00000000  0.74812200  0.81781900  1
  N  N21  1  0.00000000  0.25187800  0.81781900  1
