# generated using pymatgen data_Zr6Zn22CuC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58122087 _cell_length_b 8.58122045 _cell_length_c 8.58121940 _cell_angle_alpha 59.99999660 _cell_angle_beta 59.99999821 _cell_angle_gamma 59.99999074 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn22CuC _chemical_formula_sum 'Zr6 Zn22 Cu1 C1' _cell_volume 446.81948132 _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 Zr Zr0 1 0.69112592 0.30887408 0.30887408 1.0 Zr Zr1 1 0.30887408 0.69112592 0.69112592 1.0 Zr Zr2 1 0.30887408 0.69112592 0.30887408 1.0 Zr Zr3 1 0.69112592 0.30887408 0.69112592 1.0 Zr Zr4 1 0.30887408 0.30887408 0.69112592 1.0 Zr Zr5 1 0.69112592 0.69112592 0.30887408 1.0 Zn Zn6 1 0.11872053 0.11872053 0.11872053 1.0 Zn Zn7 1 0.88127947 0.88127947 0.88127947 1.0 Zn Zn8 1 0.11872053 0.11872053 0.64384041 1.0 Zn Zn9 1 0.11872053 0.64384041 0.11872053 1.0 Zn Zn10 1 0.88127947 0.88127947 0.35615959 1.0 Zn Zn11 1 0.88127947 0.35615959 0.88127947 1.0 Zn Zn12 1 0.64384041 0.11872053 0.11872053 1.0 Zn Zn13 1 0.35615959 0.88127947 0.88127947 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn17 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn18 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn20 1 0.32950485 0.32950485 0.32950485 1.0 Zn Zn21 1 0.67049515 0.67049515 0.67049515 1.0 Zn Zn22 1 0.32950485 0.32950485 0.01148644 1.0 Zn Zn23 1 0.32950485 0.01148644 0.32950485 1.0 Zn Zn24 1 0.67049515 0.67049515 0.98851356 1.0 Zn Zn25 1 0.67049515 0.98851356 0.67049515 1.0 Zn Zn26 1 0.01148644 0.32950485 0.32950485 1.0 Zn Zn27 1 0.98851356 0.67049515 0.67049515 1.0 Cu Cu28 1 0.00000000 0.00000000 0.00000000 1.0 C C29 1 0.50000000 0.50000000 0.50000000 1.0