# generated using pymatgen data_Li2Nd6Cd21P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.93139918 _cell_length_b 9.88522050 _cell_length_c 9.88522083 _cell_angle_alpha 60.50622115 _cell_angle_beta 59.84534582 _cell_angle_gamma 59.84534704 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Nd6Cd21P _chemical_formula_sum 'Li2 Nd6 Cd21 P1' _cell_volume 687.18729246 _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 Li Li0 1 0.00000000 0.50000000 0.50000000 1.0 Li Li1 1 0.50000000 0.50000000 0.50000000 1.0 Nd Nd2 1 0.79308464 0.79785851 0.20214149 1.0 Nd Nd3 1 0.20691536 0.79785851 0.20214149 1.0 Nd Nd4 1 0.79356838 0.20643162 0.20643162 1.0 Nd Nd5 1 0.20691536 0.20214149 0.79785851 1.0 Nd Nd6 1 0.79308464 0.20214149 0.79785851 1.0 Nd Nd7 1 0.20643162 0.79356838 0.79356838 1.0 Cd Cd8 1 0.83489808 0.82231409 0.50788975 1.0 Cd Cd9 1 0.83489808 0.50788975 0.82231409 1.0 Cd Cd10 1 0.50893047 0.82944711 0.82944711 1.0 Cd Cd11 1 0.83217330 0.82944711 0.82944711 1.0 Cd Cd12 1 0.16510192 0.17768591 0.49211025 1.0 Cd Cd13 1 0.16510192 0.49211025 0.17768591 1.0 Cd Cd14 1 0.49106953 0.17055289 0.17055289 1.0 Cd Cd15 1 0.16782670 0.17055289 0.17055289 1.0 Cd Cd16 1 0.61802606 0.61653762 0.14741026 1.0 Cd Cd17 1 0.61802606 0.14741026 0.61653762 1.0 Cd Cd18 1 0.14716979 0.61297225 0.61297225 1.0 Cd Cd19 1 0.62688372 0.61297225 0.61297225 1.0 Cd Cd20 1 0.38197394 0.38346238 0.85258974 1.0 Cd Cd21 1 0.38197394 0.85258974 0.38346238 1.0 Cd Cd22 1 0.85283021 0.38702775 0.38702775 1.0 Cd Cd23 1 0.37311628 0.38702775 0.38702775 1.0 Cd Cd24 1 0.00000000 0.00000000 0.50000000 1.0 Cd Cd25 1 0.50000000 0.00000000 0.50000000 1.0 Cd Cd26 1 0.50000000 0.50000000 0.00000000 1.0 Cd Cd27 1 0.00000000 0.50000000 0.00000000 1.0 Cd Cd28 1 0.50000000 0.00000000 0.00000000 1.0 P P29 1 0.00000000 0.00000000 0.00000000 1.0