# generated using pymatgen data_Zr6SiPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90552258 _cell_length_b 7.72491496 _cell_length_c 7.72491530 _cell_angle_alpha 119.99999310 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6SiPb2 _chemical_formula_sum 'Zr6 Si1 Pb2' _cell_volume 201.83535752 _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 0.50000000 0.24022472 0.00000000 1.0 Zr Zr1 1 0.00000000 0.61449850 1.00000000 1.0 Zr Zr2 1 0.50000000 0.00000000 0.24022472 1.0 Zr Zr3 1 0.00000000 0.38550250 0.38550250 1.0 Zr Zr4 1 0.00000000 1.00000000 0.61449850 1.0 Zr Zr5 1 0.50000000 0.75977528 0.75977528 1.0 Si Si6 1 0.00000000 0.00000000 0.00000000 1.0 Pb Pb7 1 0.50000000 0.66666800 0.33333400 1.0 Pb Pb8 1 0.50000000 0.33333400 0.66666800 1.0