# generated using pymatgen data_Zr(AlC)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35569155 _cell_length_b 3.35569155 _cell_length_c 22.10806800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999113 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(AlC)4 _chemical_formula_sum 'Zr2 Al8 C8' _cell_volume 215.59839870 _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 Zr Zr0 1 0.33333300 0.66666700 0.06138300 1.0 Zr Zr1 1 0.66666700 0.33333300 0.93861700 1.0 Al Al2 1 0.33333300 0.66666700 0.54501500 1.0 Al Al3 1 0.66666700 0.33333300 0.45498500 1.0 Al Al4 1 0.00000000 0.00000000 0.83472900 1.0 Al Al5 1 0.00000000 0.00000000 0.16527100 1.0 Al Al6 1 0.00000000 0.00000000 0.64845500 1.0 Al Al7 1 0.00000000 0.00000000 0.35154500 1.0 Al Al8 1 0.33333300 0.66666700 0.73242000 1.0 Al Al9 1 0.66666700 0.33333300 0.26758000 1.0 C C10 1 0.00000000 0.00000000 0.50000000 1.0 C C11 1 0.00000000 0.00000000 0.74653200 1.0 C C12 1 0.00000000 0.00000000 0.00000000 1.0 C C13 1 0.66666700 0.33333300 0.36663600 1.0 C C14 1 0.00000000 0.00000000 0.25346800 1.0 C C15 1 0.66666700 0.33333300 0.12505700 1.0 C C16 1 0.33333300 0.66666700 0.87494300 1.0 C C17 1 0.33333300 0.66666700 0.63336400 1.0