# generated using pymatgen
data_Cs2LiIr(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67894913
_cell_length_b   7.67894913
_cell_length_c   7.67894913
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2LiIr(CN)6
_chemical_formula_sum   'Cs2 Li1 Ir1 C6 N6'
_cell_volume   320.17717863
_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
  Cs  Cs0  1  0.75000000  0.75000000  0.75000000  1
  Cs  Cs1  1  0.25000000  0.25000000  0.25000000  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Ir  Ir3  1  0.00000000  0.00000000  0.00000000  1
  C  C4  1  0.81384700  0.18615300  0.18615300  1
  C  C5  1  0.81384700  0.18615300  0.81384700  1
  C  C6  1  0.81384700  0.81384700  0.18615300  1
  C  C7  1  0.18615300  0.81384700  0.81384700  1
  C  C8  1  0.18615300  0.18615300  0.81384700  1
  C  C9  1  0.18615300  0.81384700  0.18615300  1
  N  N10  1  0.29429800  0.70570200  0.70570200  1
  N  N11  1  0.29429800  0.29429800  0.70570200  1
  N  N12  1  0.70570200  0.70570200  0.29429800  1
  N  N13  1  0.70570200  0.29429800  0.70570200  1
  N  N14  1  0.70570200  0.29429800  0.29429800  1
  N  N15  1  0.29429800  0.70570200  0.29429800  1
