# generated using pymatgen data_Zr3Al2IrC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63269643 _cell_length_b 8.63269597 _cell_length_c 8.63269604 _cell_angle_alpha 59.99999594 _cell_angle_beta 59.99999771 _cell_angle_gamma 59.99999671 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Al2IrC _chemical_formula_sum 'Zr12 Al8 Ir4 C4' _cell_volume 454.90879631 _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 Zr Zr0 1 0.94582391 0.94582391 0.55417609 1.0 Zr Zr1 1 0.69582391 0.30417609 0.30417609 1.0 Zr Zr2 1 0.30417609 0.69582391 0.69582391 1.0 Zr Zr3 1 0.69582391 0.69582391 0.30417609 1.0 Zr Zr4 1 0.69582391 0.30417609 0.69582391 1.0 Zr Zr5 1 0.30417609 0.69582391 0.30417609 1.0 Zr Zr6 1 0.55417609 0.94582391 0.55417609 1.0 Zr Zr7 1 0.55417609 0.94582391 0.94582391 1.0 Zr Zr8 1 0.94582391 0.55417609 0.55417609 1.0 Zr Zr9 1 0.94582391 0.55417609 0.94582391 1.0 Zr Zr10 1 0.30417609 0.30417609 0.69582391 1.0 Zr Zr11 1 0.55417609 0.55417609 0.94582391 1.0 Al Al12 1 0.92058692 0.23824023 0.92058692 1.0 Al Al13 1 0.32941308 0.32941308 0.01175977 1.0 Al Al14 1 0.01175977 0.32941308 0.32941308 1.0 Al Al15 1 0.32941308 0.32941308 0.32941308 1.0 Al Al16 1 0.23824023 0.92058692 0.92058692 1.0 Al Al17 1 0.92058692 0.92058692 0.92058692 1.0 Al Al18 1 0.92058692 0.92058692 0.23824023 1.0 Al Al19 1 0.32941308 0.01175977 0.32941308 1.0 Ir Ir20 1 0.12500000 0.62500000 0.12500000 1.0 Ir Ir21 1 0.12500000 0.12500000 0.62500000 1.0 Ir Ir22 1 0.62500000 0.12500000 0.12500000 1.0 Ir Ir23 1 0.12500000 0.12500000 0.12500000 1.0 C C24 1 0.62500000 0.12500000 0.62500000 1.0 C C25 1 0.62500000 0.62500000 0.12500000 1.0 C C26 1 0.12500000 0.62500000 0.62500000 1.0 C C27 1 0.62500000 0.62500000 0.62500000 1.0