# generated using pymatgen data_NdTh2(GaNi)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07475045 _cell_length_b 7.04998075 _cell_length_c 3.96018617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.88425507 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTh2(GaNi)3 _chemical_formula_sum 'Nd1 Th2 Ga3 Ni3' _cell_volume 171.25790931 _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 1.00000000 0.41816341 0.50000000 1.0 Th Th1 1 0.57798780 0.57894938 0.50000000 1.0 Th Th2 1 0.42201220 0.00096158 0.50000000 1.0 Ga Ga3 1 0.00000000 0.76416103 0.00000000 1.0 Ga Ga4 1 0.22691061 0.22970805 0.00000000 1.0 Ga Ga5 1 0.77308939 0.00279745 0.00000000 1.0 Ni Ni6 1 0.35099499 0.68222644 0.00000000 1.0 Ni Ni7 1 0.64900501 0.33123045 0.00000000 1.0 Ni Ni8 1 0.00000000 0.99180322 0.50000000 1.0