# generated using pymatgen data_NaCa(NdB12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16032662 _cell_length_b 7.16032517 _cell_length_c 5.85030571 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.48204477 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCa(NdB12)2 _chemical_formula_sum 'Na1 Ca1 Nd2 B24' _cell_volume 282.77360016 _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 Na Na0 1 0.00000000 0.00000000 0.00000000 1.0 Ca Ca1 1 0.50000000 0.50000000 0.00000000 1.0 Nd Nd2 1 0.75253209 0.24746791 0.50000000 1.0 Nd Nd3 1 0.24746791 0.75253209 0.50000000 1.0 B B4 1 0.17597189 0.32474759 0.65005201 1.0 B B5 1 0.92479502 0.57493310 0.14871111 1.0 B B6 1 0.67525241 0.82402811 0.65005201 1.0 B B7 1 0.42506690 0.07520498 0.14871111 1.0 B B8 1 0.17597189 0.32474759 0.34994799 1.0 B B9 1 0.92479502 0.57493310 0.85128889 1.0 B B10 1 0.67525241 0.82402811 0.34994799 1.0 B B11 1 0.42506690 0.07520498 0.85128889 1.0 B B12 1 0.39959472 0.39959472 0.50000000 1.0 B B13 1 0.14858820 0.65014791 0.00000000 1.0 B B14 1 0.89911419 0.89911419 0.50000000 1.0 B B15 1 0.65014791 0.14858820 0.00000000 1.0 B B16 1 0.32474759 0.17597189 0.65005201 1.0 B B17 1 0.07520498 0.42506690 0.14871111 1.0 B B18 1 0.82402811 0.67525241 0.65005201 1.0 B B19 1 0.57493310 0.92479502 0.14871111 1.0 B B20 1 0.10088581 0.10088581 0.50000000 1.0 B B21 1 0.85141180 0.34985209 0.00000000 1.0 B B22 1 0.60040528 0.60040528 0.50000000 1.0 B B23 1 0.34985209 0.85141180 0.00000000 1.0 B B24 1 0.32474759 0.17597189 0.34994799 1.0 B B25 1 0.07520498 0.42506690 0.85128889 1.0 B B26 1 0.82402811 0.67525241 0.34994799 1.0 B B27 1 0.57493310 0.92479502 0.85128889 1.0