# generated using pymatgen data_Zr2Ta(TiGe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80814989 _cell_length_b 6.92240780 _cell_length_c 13.09561438 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ta(TiGe2)2 _chemical_formula_sum 'Zr8 Ta4 Ti8 Ge16' _cell_volume 617.18045840 _cell_formula_units_Z 4 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 Zr Zr0 1 0.49101986 0.67428121 0.09544253 1.0 Zr Zr1 1 0.99101986 0.82571879 0.40455747 1.0 Zr Zr2 1 0.50898014 0.32571879 0.59544253 1.0 Zr Zr3 1 0.00898014 0.17428121 0.90455747 1.0 Zr Zr4 1 0.50898014 0.32571879 0.90455747 1.0 Zr Zr5 1 0.00898014 0.17428121 0.59544253 1.0 Zr Zr6 1 0.49101986 0.67428121 0.40455747 1.0 Zr Zr7 1 0.99101986 0.82571879 0.09544253 1.0 Ta Ta8 1 0.32915059 0.00544584 0.25000000 1.0 Ta Ta9 1 0.82915059 0.49455416 0.25000000 1.0 Ta Ta10 1 0.67084941 0.99455416 0.75000000 1.0 Ta Ta11 1 0.17084941 0.50544584 0.75000000 1.0 Ti Ti12 1 0.65811534 0.16948583 0.12488271 1.0 Ti Ti13 1 0.15811534 0.33051417 0.37511729 1.0 Ti Ti14 1 0.34188466 0.83051417 0.62488271 1.0 Ti Ti15 1 0.84188466 0.66948583 0.87511729 1.0 Ti Ti16 1 0.34188466 0.83051417 0.87511729 1.0 Ti Ti17 1 0.84188466 0.66948583 0.62488271 1.0 Ti Ti18 1 0.65811534 0.16948583 0.37511729 1.0 Ti Ti19 1 0.15811534 0.33051417 0.12488271 1.0 Ge Ge20 1 0.69200113 0.86087622 0.25000000 1.0 Ge Ge21 1 0.19200113 0.63912378 0.25000000 1.0 Ge Ge22 1 0.30799887 0.13912378 0.75000000 1.0 Ge Ge23 1 0.80799887 0.36087622 0.75000000 1.0 Ge Ge24 1 0.68131990 0.95953042 0.96105221 1.0 Ge Ge25 1 0.18131990 0.54046958 0.53894779 1.0 Ge Ge26 1 0.31868010 0.04046958 0.46105221 1.0 Ge Ge27 1 0.81868010 0.45953042 0.03894779 1.0 Ge Ge28 1 0.31868010 0.04046958 0.03894779 1.0 Ge Ge29 1 0.81868010 0.45953042 0.46105221 1.0 Ge Ge30 1 0.68131990 0.95953042 0.53894779 1.0 Ge Ge31 1 0.18131990 0.54046958 0.96105221 1.0 Ge Ge32 1 0.45687351 0.37745130 0.25000000 1.0 Ge Ge33 1 0.95687351 0.12254870 0.25000000 1.0 Ge Ge34 1 0.54312649 0.62254870 0.75000000 1.0 Ge Ge35 1 0.04312649 0.87745130 0.75000000 1.0