# generated using pymatgen data_IrC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23799360 _cell_length_b 4.23799360 _cell_length_c 13.81934000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999371 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrC4 _chemical_formula_sum 'Ir4 C16' _cell_volume 214.95054653 _cell_formula_units_Z 4 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 Ir Ir0 1 0.33333300 0.66666700 0.25000000 1.0 Ir Ir1 1 0.66666700 0.33333300 0.75000000 1.0 Ir Ir2 1 0.00000000 0.00000000 0.25000000 1.0 Ir Ir3 1 0.00000000 0.00000000 0.75000000 1.0 C C4 1 0.33210900 0.33210900 0.50000000 1.0 C C5 1 0.66789100 0.00000000 0.50000000 1.0 C C6 1 0.00000000 0.66789100 0.50000000 1.0 C C7 1 0.66789100 0.66789100 0.50000000 1.0 C C8 1 0.00000000 0.33210900 0.50000000 1.0 C C9 1 0.33210900 0.00000000 0.50000000 1.0 C C10 1 0.66789100 0.66789100 0.00000000 1.0 C C11 1 0.33210900 0.00000000 0.00000000 1.0 C C12 1 0.00000000 0.33210900 0.00000000 1.0 C C13 1 0.33210900 0.33210900 0.00000000 1.0 C C14 1 0.00000000 0.66789100 0.00000000 1.0 C C15 1 0.66789100 0.00000000 0.00000000 1.0 C C16 1 0.33333300 0.66666700 0.79861200 1.0 C C17 1 0.66666700 0.33333300 0.20138800 1.0 C C18 1 0.66666700 0.33333300 0.29861200 1.0 C C19 1 0.33333300 0.66666700 0.70138800 1.0