# generated using pymatgen data_NdTh3(Ga3Rh)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60819722 _cell_length_b 7.61693331 _cell_length_c 9.51023831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.61554675 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTh3(Ga3Rh)6 _chemical_formula_sum 'Nd1 Th3 Ga18 Rh6' _cell_volume 479.13004377 _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 Nd Nd0 1 0.32994581 0.00312972 0.75000000 1.0 Th Th1 1 0.99794337 0.67003052 0.25000000 1.0 Th Th2 1 0.00122779 0.33052172 0.75000000 1.0 Th Th3 1 0.66982226 0.99722720 0.25000000 1.0 Ga Ga4 1 0.13452868 0.13282013 0.25000000 1.0 Ga Ga5 1 0.86867390 0.86869415 0.75000000 1.0 Ga Ga6 1 0.00771478 0.33490462 0.07729126 1.0 Ga Ga7 1 0.99672848 0.66887610 0.92166676 1.0 Ga Ga8 1 0.99672848 0.66887610 0.57833324 1.0 Ga Ga9 1 0.33507838 0.00652182 0.42619141 1.0 Ga Ga10 1 0.00771478 0.33490462 0.42270874 1.0 Ga Ga11 1 0.66137335 0.99315159 0.57818788 1.0 Ga Ga12 1 0.66137335 0.99315159 0.92181212 1.0 Ga Ga13 1 0.33507838 0.00652182 0.07380859 1.0 Ga Ga14 1 0.33786515 0.33517574 0.56334035 1.0 Ga Ga15 1 0.66130586 0.66119130 0.44024363 1.0 Ga Ga16 1 0.66130586 0.66119130 0.05975637 1.0 Ga Ga17 1 0.33786515 0.33517574 0.93665965 1.0 Ga Ga18 1 0.34000537 0.54226926 0.25000000 1.0 Ga Ga19 1 0.65971997 0.45555747 0.75000000 1.0 Ga Ga20 1 0.54270307 0.33874584 0.25000000 1.0 Ga Ga21 1 0.45576907 0.66181606 0.75000000 1.0 Rh Rh22 1 0.67452789 0.32990999 0.00111906 1.0 Rh Rh23 1 0.32775780 0.67018947 0.00136819 1.0 Rh Rh24 1 0.32775780 0.67018947 0.49863181 1.0 Rh Rh25 1 0.67452789 0.32990999 0.49888094 1.0 Rh Rh26 1 0.99747767 0.99967283 0.00154689 1.0 Rh Rh27 1 0.99747767 0.99967283 0.49845311 1.0