# generated using pymatgen data_Zr6ZnAsC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93478669 _cell_length_b 5.93478572 _cell_length_c 8.89980773 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.93674071 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6ZnAsC2 _chemical_formula_sum 'Zr6 Zn1 As1 C2' _cell_volume 175.57491659 _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 0.62940976 0.37059024 0.94603560 1.0 Zr Zr1 1 0.37115336 0.62884664 0.45184092 1.0 Zr Zr2 1 0.37115336 0.62884664 0.04815908 1.0 Zr Zr3 1 0.62940976 0.37059024 0.55396440 1.0 Zr Zr4 1 0.93974937 0.06025063 0.75000000 1.0 Zr Zr5 1 0.05345184 0.94654816 0.25000000 1.0 Zn Zn6 1 0.75152150 0.24847850 0.25000000 1.0 As As7 1 0.25276204 0.74723796 0.75000000 1.0 C C8 1 0.00069501 0.99930499 0.99755309 1.0 C C9 1 0.00069501 0.99930499 0.50244691 1.0