# generated using pymatgen data_ThGa2Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87771576 _cell_length_b 8.87771523 _cell_length_c 4.08038927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999827 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThGa2Ni3 _chemical_formula_sum 'Th3 Ga6 Ni9' _cell_volume 278.50608116 _cell_formula_units_Z 3 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 Th Th0 1 0.66666700 0.33333300 0.50000000 1.0 Th Th1 1 0.33333300 0.66666700 0.50000000 1.0 Th Th2 1 0.00000000 0.00000000 0.00000000 1.0 Ga Ga3 1 0.27468273 0.27468273 0.50000000 1.0 Ga Ga4 1 0.72531727 1.00000000 0.50000000 1.0 Ga Ga5 1 0.00000000 0.72531727 0.50000000 1.0 Ga Ga6 1 0.53392608 0.53392608 0.00000000 1.0 Ga Ga7 1 0.46607392 0.00000000 0.00000000 1.0 Ga Ga8 1 1.00000000 0.46607392 0.00000000 1.0 Ni Ni9 1 0.78829288 0.16585857 0.00000000 1.0 Ni Ni10 1 0.83414143 0.62243232 0.00000000 1.0 Ni Ni11 1 0.37756768 0.21170712 0.00000000 1.0 Ni Ni12 1 0.16585857 0.78829288 0.00000000 1.0 Ni Ni13 1 0.62243232 0.83414143 0.00000000 1.0 Ni Ni14 1 0.21170712 0.37756768 0.00000000 1.0 Ni Ni15 1 0.71572706 0.71572706 0.50000000 1.0 Ni Ni16 1 0.28427294 0.00000000 0.50000000 1.0 Ni Ni17 1 1.00000000 0.28427294 0.50000000 1.0