# generated using pymatgen data_Zr5Sn3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47886982 _cell_length_b 8.47886982 _cell_length_c 5.84987270 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000714 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Sn3C _chemical_formula_sum 'Zr10 Sn6 C2' _cell_volume 364.21090931 _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 0.50000000 1.0 Zr Zr1 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr2 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr3 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr4 1 0.21952643 -0.00000000 0.75000000 1.0 Zr Zr5 1 0.78047357 0.00000000 0.25000000 1.0 Zr Zr6 1 -0.00000000 0.21952643 0.75000000 1.0 Zr Zr7 1 0.00000000 0.78047357 0.25000000 1.0 Zr Zr8 1 0.78047357 0.78047357 0.75000000 1.0 Zr Zr9 1 0.21952643 0.21952643 0.25000000 1.0 Sn Sn10 1 0.59596201 0.00000000 0.75000000 1.0 Sn Sn11 1 0.40403799 -0.00000000 0.25000000 1.0 Sn Sn12 1 0.00000000 0.59596201 0.75000000 1.0 Sn Sn13 1 -0.00000000 0.40403799 0.25000000 1.0 Sn Sn14 1 0.40403799 0.40403799 0.75000000 1.0 Sn Sn15 1 0.59596201 0.59596201 0.25000000 1.0 C C16 1 -0.00000000 -0.00000000 0.50000000 1.0 C C17 1 -0.00000000 -0.00000000 0.00000000 1.0