# generated using pymatgen data_LaTh3(Si3Ni)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.03088890 _cell_length_b 8.03088844 _cell_length_c 4.32482048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000596 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTh3(Si3Ni)2 _chemical_formula_sum 'La1 Th3 Si6 Ni2' _cell_volume 241.56048975 _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 La La0 1 0.00000000 0.00000000 0.00000000 1.0 Th Th1 1 0.50000000 0.50000000 0.00000000 1.0 Th Th2 1 0.00000000 0.50000000 0.00000000 1.0 Th Th3 1 0.50000000 0.00000000 0.00000000 1.0 Si Si4 1 0.82817814 0.65635628 0.50000000 1.0 Si Si5 1 0.17182186 0.82817814 0.50000000 1.0 Si Si6 1 0.65635628 0.82817814 0.50000000 1.0 Si Si7 1 0.17182186 0.34364372 0.50000000 1.0 Si Si8 1 0.82817814 0.17182186 0.50000000 1.0 Si Si9 1 0.34364372 0.17182186 0.50000000 1.0 Ni Ni10 1 0.33333300 0.66666700 0.50000000 1.0 Ni Ni11 1 0.66666700 0.33333300 0.50000000 1.0