# generated using pymatgen data_NdY3ScBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21034037 _cell_length_b 9.42937698 _cell_length_c 12.09913970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdY3ScBi3 _chemical_formula_sum 'Nd4 Y12 Sc4 Bi12' _cell_volume 936.69596978 _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 0.18131812 0.75000000 0.72148152 1.0 Nd Nd1 1 0.68131812 0.75000000 0.77851848 1.0 Nd Nd2 1 0.81868188 0.25000000 0.27851848 1.0 Nd Nd3 1 0.31868188 0.25000000 0.22148152 1.0 Y Y4 1 0.30357166 0.43754215 0.94046169 1.0 Y Y5 1 0.80357166 0.06245785 0.55953831 1.0 Y Y6 1 0.69642834 0.93754215 0.05953831 1.0 Y Y7 1 0.19642834 0.56245785 0.44046169 1.0 Y Y8 1 0.69642834 0.56245785 0.05953831 1.0 Y Y9 1 0.19642834 0.93754215 0.44046169 1.0 Y Y10 1 0.30357166 0.06245785 0.94046169 1.0 Y Y11 1 0.80357166 0.43754215 0.55953831 1.0 Y Y12 1 0.35472716 0.75000000 0.21586992 1.0 Y Y13 1 0.85472716 0.75000000 0.28413008 1.0 Y Y14 1 0.64527284 0.25000000 0.78413008 1.0 Y Y15 1 0.14527284 0.25000000 0.71586992 1.0 Sc Sc16 1 0.02414823 0.75000000 0.98815710 1.0 Sc Sc17 1 0.52414823 0.75000000 0.51184290 1.0 Sc Sc18 1 0.97585177 0.25000000 0.01184290 1.0 Sc Sc19 1 0.47585177 0.25000000 0.48815710 1.0 Bi Bi20 1 0.43459120 0.00791854 0.66597100 1.0 Bi Bi21 1 0.93459120 0.49208146 0.83402900 1.0 Bi Bi22 1 0.56540880 0.50791854 0.33402900 1.0 Bi Bi23 1 0.06540880 0.99208146 0.16597100 1.0 Bi Bi24 1 0.56540880 0.99208146 0.33402900 1.0 Bi Bi25 1 0.06540880 0.50791854 0.16597100 1.0 Bi Bi26 1 0.43459120 0.49208146 0.66597100 1.0 Bi Bi27 1 0.93459120 0.00791854 0.83402900 1.0 Bi Bi28 1 0.40446699 0.75000000 0.96263811 1.0 Bi Bi29 1 0.90446699 0.75000000 0.53736189 1.0 Bi Bi30 1 0.59553301 0.25000000 0.03736189 1.0 Bi Bi31 1 0.09553301 0.25000000 0.46263811 1.0