# generated using pymatgen data_CaZn3Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.26962560 _cell_length_b 9.26962468 _cell_length_c 4.16016678 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999984 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZn3Ir2 _chemical_formula_sum 'Ca3 Zn9 Ir6' _cell_volume 309.57488328 _cell_formula_units_Z 3 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 Ca Ca0 1 0.00000000 0.00000000 0.50000000 1.0 Ca Ca1 1 0.33333300 0.66666700 0.00000000 1.0 Ca Ca2 1 0.66666700 0.33333300 0.00000000 1.0 Zn Zn3 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn4 1 0.50000000 0.50000000 0.50000000 1.0 Zn Zn5 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn6 1 0.29387073 0.00000000 0.00000000 1.0 Zn Zn7 1 0.29387073 0.29387073 0.00000000 1.0 Zn Zn8 1 0.00000000 0.70612927 0.00000000 1.0 Zn Zn9 1 1.00000000 0.29387073 0.00000000 1.0 Zn Zn10 1 0.70612927 0.70612927 0.00000000 1.0 Zn Zn11 1 0.70612927 1.00000000 0.00000000 1.0 Ir Ir12 1 0.18106176 0.36212353 0.50000000 1.0 Ir Ir13 1 0.81893824 0.18106176 0.50000000 1.0 Ir Ir14 1 0.36212353 0.18106176 0.50000000 1.0 Ir Ir15 1 0.63787647 0.81893824 0.50000000 1.0 Ir Ir16 1 0.18106176 0.81893824 0.50000000 1.0 Ir Ir17 1 0.81893824 0.63787647 0.50000000 1.0