# generated using pymatgen data_NdScTcB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64659671 _cell_length_b 9.06957192 _cell_length_c 11.52408264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdScTcB6 _chemical_formula_sum 'Nd4 Sc4 Tc4 B24' _cell_volume 381.13680489 _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 0.00000000 0.82272637 0.08485863 1.0 Nd Nd1 1 0.00000000 0.17727363 0.91514137 1.0 Nd Nd2 1 0.00000000 0.32272637 0.41514137 1.0 Nd Nd3 1 0.00000000 0.67727363 0.58485863 1.0 Sc Sc4 1 0.00000000 0.44336755 0.13234397 1.0 Sc Sc5 1 0.00000000 0.55663245 0.86765603 1.0 Sc Sc6 1 0.00000000 0.94336755 0.36765603 1.0 Sc Sc7 1 0.00000000 0.05663245 0.63234397 1.0 Tc Tc8 1 0.00000000 0.14190264 0.18359439 1.0 Tc Tc9 1 0.00000000 0.85809736 0.81640561 1.0 Tc Tc10 1 0.00000000 0.64190264 0.31640561 1.0 Tc Tc11 1 0.00000000 0.35809736 0.68359439 1.0 B B12 1 0.50000000 0.05693046 0.07091604 1.0 B B13 1 0.50000000 0.94306954 0.92908396 1.0 B B14 1 0.50000000 0.55693046 0.42908396 1.0 B B15 1 0.50000000 0.44306954 0.57091604 1.0 B B16 1 0.50000000 0.25490164 0.08495277 1.0 B B17 1 0.50000000 0.74509836 0.91504723 1.0 B B18 1 0.50000000 0.75490164 0.41504723 1.0 B B19 1 0.50000000 0.24509836 0.58495277 1.0 B B20 1 0.50000000 0.29463168 0.23490556 1.0 B B21 1 0.50000000 0.70536832 0.76509444 1.0 B B22 1 0.50000000 0.79463168 0.26509444 1.0 B B23 1 0.50000000 0.20536832 0.73490556 1.0 B B24 1 0.50000000 0.12838726 0.31635734 1.0 B B25 1 0.50000000 0.87161274 0.68364266 1.0 B B26 1 0.50000000 0.62838726 0.18364266 1.0 B B27 1 0.50000000 0.37161274 0.81635734 1.0 B B28 1 0.50000000 0.48360945 0.28508776 1.0 B B29 1 0.50000000 0.51639055 0.71491224 1.0 B B30 1 0.50000000 0.98360945 0.21491224 1.0 B B31 1 0.50000000 0.01639055 0.78508776 1.0 B B32 1 0.50000000 0.09322672 0.47515774 1.0 B B33 1 0.50000000 0.90677328 0.52484226 1.0 B B34 1 0.50000000 0.59322672 0.02484226 1.0 B B35 1 0.50000000 0.40677328 0.97515774 1.0