# generated using pymatgen data_Zr2Ta3Ge4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82879402 _cell_length_b 6.93933869 _cell_length_c 13.21280129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ta3Ge4 _chemical_formula_sum 'Zr8 Ta12 Ge16' _cell_volume 626.11917077 _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 0.48781729 0.67464304 0.59195616 1.0 Zr Zr1 1 0.98781729 0.82535696 0.90804384 1.0 Zr Zr2 1 0.51218271 0.32535696 0.09195616 1.0 Zr Zr3 1 0.01218271 0.17464304 0.40804384 1.0 Zr Zr4 1 0.51218271 0.32535696 0.40804384 1.0 Zr Zr5 1 0.01218271 0.17464304 0.09195616 1.0 Zr Zr6 1 0.48781729 0.67464304 0.90804384 1.0 Zr Zr7 1 0.98781729 0.82535696 0.59195616 1.0 Ta Ta8 1 0.65776198 0.16670556 0.62478242 1.0 Ta Ta9 1 0.15776198 0.33329444 0.87521758 1.0 Ta Ta10 1 0.34223802 0.83329444 0.12478242 1.0 Ta Ta11 1 0.84223802 0.66670556 0.37521758 1.0 Ta Ta12 1 0.34223802 0.83329444 0.37521758 1.0 Ta Ta13 1 0.84223802 0.66670556 0.12478242 1.0 Ta Ta14 1 0.65776198 0.16670556 0.87521758 1.0 Ta Ta15 1 0.15776198 0.33329444 0.62478242 1.0 Ta Ta16 1 0.83425485 0.49080286 0.75000000 1.0 Ta Ta17 1 0.33425485 0.00919714 0.75000000 1.0 Ta Ta18 1 0.16574515 0.50919714 0.25000000 1.0 Ta Ta19 1 0.66574515 0.99080286 0.25000000 1.0 Ge Ge20 1 0.68273489 0.96096950 0.46006288 1.0 Ge Ge21 1 0.18273489 0.53903050 0.03993712 1.0 Ge Ge22 1 0.31726511 0.03903050 0.96006288 1.0 Ge Ge23 1 0.81726511 0.46096950 0.53993712 1.0 Ge Ge24 1 0.31726511 0.03903050 0.53993712 1.0 Ge Ge25 1 0.81726511 0.46096950 0.96006288 1.0 Ge Ge26 1 0.68273489 0.96096950 0.03993712 1.0 Ge Ge27 1 0.18273489 0.53903050 0.46006288 1.0 Ge Ge28 1 0.45941100 0.38750192 0.75000000 1.0 Ge Ge29 1 0.95941100 0.11249808 0.75000000 1.0 Ge Ge30 1 0.54058900 0.61249808 0.25000000 1.0 Ge Ge31 1 0.04058900 0.88750192 0.25000000 1.0 Ge Ge32 1 0.69214806 0.85028412 0.75000000 1.0 Ge Ge33 1 0.19214806 0.64971588 0.75000000 1.0 Ge Ge34 1 0.30785194 0.14971588 0.25000000 1.0 Ge Ge35 1 0.80785194 0.35028412 0.25000000 1.0