# generated using pymatgen data_Pa2Ti3Ge4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09139316 _cell_length_b 7.05163673 _cell_length_c 7.14722937 _cell_angle_alpha 69.87071701 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Ti3Ge4 _chemical_formula_sum 'Pa4 Ti6 Ge8' _cell_volume 335.57307410 _cell_formula_units_Z 2 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 Pa Pa0 1 0.67143552 0.94140144 0.68855415 1.0 Pa Pa1 1 0.32856448 0.05859856 0.31144585 1.0 Pa Pa2 1 0.17143552 0.55859856 0.31144585 1.0 Pa Pa3 1 0.82856448 0.44140144 0.68855415 1.0 Ti Ti4 1 0.66333339 0.74639531 0.25020664 1.0 Ti Ti5 1 0.33666661 0.25360469 0.74979336 1.0 Ti Ti6 1 0.16333339 0.75360469 0.74979336 1.0 Ti Ti7 1 0.83666661 0.24639531 0.25020664 1.0 Ti Ti8 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti9 1 0.50000000 0.50000000 0.00000000 1.0 Ge Ge10 1 0.95258384 0.85587450 0.40927262 1.0 Ge Ge11 1 0.04741616 0.14412550 0.59072738 1.0 Ge Ge12 1 0.45258384 0.64412550 0.59072738 1.0 Ge Ge13 1 0.54741616 0.35587450 0.40927262 1.0 Ge Ge14 1 0.86505649 0.63363906 0.00361081 1.0 Ge Ge15 1 0.13494351 0.36636094 0.99638919 1.0 Ge Ge16 1 0.36505649 0.86636094 0.99638919 1.0 Ge Ge17 1 0.63494351 0.13363906 0.00361081 1.0