# generated using pymatgen data_Th2Zr3Ge4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51734750 _cell_length_b 7.40394879 _cell_length_c 7.54317347 _cell_angle_alpha 70.17865833 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Zr3Ge4 _chemical_formula_sum 'Th4 Zr6 Ge8' _cell_volume 394.96484879 _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 Th Th0 1 0.67287707 0.93779993 0.69000088 1.0 Th Th1 1 0.32712293 0.06220007 0.30999912 1.0 Th Th2 1 0.17287707 0.56220007 0.30999912 1.0 Th Th3 1 0.82712293 0.43779993 0.69000088 1.0 Zr Zr4 1 0.66906445 0.74688561 0.24886250 1.0 Zr Zr5 1 0.33093555 0.25311439 0.75113750 1.0 Zr Zr6 1 0.16906445 0.75311439 0.75113750 1.0 Zr Zr7 1 0.83093555 0.24688561 0.24886250 1.0 Zr Zr8 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr9 1 0.50000000 0.50000000 0.00000000 1.0 Ge Ge10 1 0.95940612 0.85599299 0.41138984 1.0 Ge Ge11 1 0.04059388 0.14400701 0.58861016 1.0 Ge Ge12 1 0.45940612 0.64400701 0.58861016 1.0 Ge Ge13 1 0.54059388 0.35599299 0.41138984 1.0 Ge Ge14 1 0.86763015 0.63321434 0.99760194 1.0 Ge Ge15 1 0.13236985 0.36678566 0.00239806 1.0 Ge Ge16 1 0.36763015 0.86678566 0.00239806 1.0 Ge Ge17 1 0.63236985 0.13321434 0.99760194 1.0