# generated using pymatgen data_Nd6Al7ZnCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06399218 _cell_length_b 8.06399223 _cell_length_c 8.08600368 _cell_angle_alpha 119.00540116 _cell_angle_beta 119.00539675 _cell_angle_gamma 91.67010539 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Al7ZnCl2 _chemical_formula_sum 'Nd6 Al7 Zn1 Cl2' _cell_volume 377.41935282 _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 Nd Nd0 1 0.65792557 0.15792557 0.81750869 1.0 Nd Nd1 1 0.15934061 0.34080875 0.50023480 1.0 Nd Nd2 1 0.84080875 0.65934061 0.50023480 1.0 Nd Nd3 1 0.75068994 0.74976658 0.00033687 1.0 Nd Nd4 1 0.33923995 0.83923995 0.18010481 1.0 Nd Nd5 1 0.24976658 0.25068994 0.00033687 1.0 Al Al6 1 0.84508815 0.06578149 0.50470562 1.0 Al Al7 1 0.34186318 0.84186318 0.78589326 1.0 Al Al8 1 0.44278655 0.65270911 0.49950286 1.0 Al Al9 1 0.56578149 0.34508815 0.50470562 1.0 Al Al10 1 0.05515994 0.55515994 0.20701233 1.0 Al Al11 1 0.15270911 0.94278655 0.49950286 1.0 Al Al12 1 0.65286145 0.15286145 0.20654516 1.0 Zn Zn13 1 0.94627777 0.44627777 0.79358793 1.0 Cl Cl14 1 0.49902182 0.50068013 0.99989276 1.0 Cl Cl15 1 0.00068013 0.99902182 0.99989276 1.0