# generated using pymatgen data_Nd4MgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.96583985 _cell_length_b 9.96580769 _cell_length_c 9.96583636 _cell_angle_alpha 59.99898192 _cell_angle_beta 59.99913103 _cell_angle_gamma 59.99902283 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4MgRu _chemical_formula_sum 'Nd16 Mg4 Ru4' _cell_volume 699.86739123 _cell_formula_units_Z 4 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 0.56177548 0.56177152 0.93822789 1.0 Nd Nd1 1 0.18857655 0.81142602 0.18857646 1.0 Nd Nd2 1 0.81142190 0.81142564 0.18857591 1.0 Nd Nd3 1 0.18857446 0.18857654 0.81142692 1.0 Nd Nd4 1 0.40612025 0.78163702 0.40611897 1.0 Nd Nd5 1 0.81142271 0.18857618 0.81142646 1.0 Nd Nd6 1 0.93822521 0.93822808 0.56177296 1.0 Nd Nd7 1 0.81142445 0.18857780 0.18857484 1.0 Nd Nd8 1 0.93822421 0.56177209 0.93822899 1.0 Nd Nd9 1 0.78163966 0.40612205 0.40611652 1.0 Nd Nd10 1 0.56177413 0.93822587 0.93822775 1.0 Nd Nd11 1 0.18857481 0.81142486 0.81142482 1.0 Nd Nd12 1 0.56177536 0.93822699 0.56177246 1.0 Nd Nd13 1 0.40612196 0.40612249 0.40611813 1.0 Nd Nd14 1 0.93822521 0.56177312 0.56177435 1.0 Nd Nd15 1 0.40611883 0.40612089 0.78164061 1.0 Mg Mg16 1 0.17189375 0.48432582 0.17189463 1.0 Mg Mg17 1 0.17189448 0.17189465 0.48432435 1.0 Mg Mg18 1 0.48432675 0.17189381 0.17189406 1.0 Mg Mg19 1 0.17188446 0.17188517 0.17188549 1.0 Ru Ru20 1 0.16260931 0.61246252 0.61246380 1.0 Ru Ru21 1 0.61246576 0.61246112 0.16260861 1.0 Ru Ru22 1 0.61246611 0.61246183 0.61246324 1.0 Ru Ru23 1 0.61246518 0.16260892 0.61246277 1.0