# generated using pymatgen data_ZrMnGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13850200 _cell_length_b 9.33406900 _cell_length_c 10.20230300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnGe2 _chemical_formula_sum 'Zr12 Mn12 Ge24' _cell_volume 775.02140827 _cell_formula_units_Z 12 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 0.74615500 0.82829100 0.04700300 1.0 Zr Zr1 1 0.74615500 0.17170900 0.95299700 1.0 Zr Zr2 1 0.25384500 0.67170900 0.54700300 1.0 Zr Zr3 1 0.25384500 0.32829100 0.45299700 1.0 Zr Zr4 1 0.25384500 0.17170900 0.95299700 1.0 Zr Zr5 1 0.25384500 0.82829100 0.04700300 1.0 Zr Zr6 1 0.74615500 0.32829100 0.45299700 1.0 Zr Zr7 1 0.74615500 0.67170900 0.54700300 1.0 Zr Zr8 1 0.50000000 0.83552400 0.32082400 1.0 Zr Zr9 1 0.50000000 0.16447600 0.67917600 1.0 Zr Zr10 1 0.50000000 0.66447600 0.82082400 1.0 Zr Zr11 1 0.50000000 0.33552400 0.17917600 1.0 Mn Mn12 1 0.75041500 0.58782900 0.24771400 1.0 Mn Mn13 1 0.75041500 0.41217100 0.75228600 1.0 Mn Mn14 1 0.24958500 0.91217100 0.74771400 1.0 Mn Mn15 1 0.24958500 0.08782900 0.25228600 1.0 Mn Mn16 1 0.24958500 0.41217100 0.75228600 1.0 Mn Mn17 1 0.24958500 0.58782900 0.24771400 1.0 Mn Mn18 1 0.75041500 0.08782900 0.25228600 1.0 Mn Mn19 1 0.75041500 0.91217100 0.74771400 1.0 Mn Mn20 1 0.74595000 0.00000000 0.50000000 1.0 Mn Mn21 1 0.25405000 0.50000000 0.00000000 1.0 Mn Mn22 1 0.25405000 0.00000000 0.50000000 1.0 Mn Mn23 1 0.74595000 0.50000000 0.00000000 1.0 Ge Ge24 1 0.84270600 0.83837400 0.31820400 1.0 Ge Ge25 1 0.84270600 0.16162600 0.68179600 1.0 Ge Ge26 1 0.15729400 0.66162600 0.81820400 1.0 Ge Ge27 1 0.15729400 0.33837400 0.18179600 1.0 Ge Ge28 1 0.15729400 0.16162600 0.68179600 1.0 Ge Ge29 1 0.15729400 0.83837400 0.31820400 1.0 Ge Ge30 1 0.84270600 0.33837400 0.18179600 1.0 Ge Ge31 1 0.84270600 0.66162600 0.81820400 1.0 Ge Ge32 1 0.50000000 0.54155100 0.37937500 1.0 Ge Ge33 1 0.50000000 0.45844900 0.62062500 1.0 Ge Ge34 1 0.50000000 0.95844900 0.87937500 1.0 Ge Ge35 1 0.50000000 0.04155100 0.12062500 1.0 Ge Ge36 1 0.00000000 0.55148300 0.38040700 1.0 Ge Ge37 1 0.00000000 0.44851700 0.61959300 1.0 Ge Ge38 1 0.00000000 0.94851700 0.88040700 1.0 Ge Ge39 1 0.00000000 0.05148300 0.11959300 1.0 Ge Ge40 1 0.50000000 0.63003000 0.10287000 1.0 Ge Ge41 1 0.50000000 0.36997000 0.89713000 1.0 Ge Ge42 1 0.50000000 0.86997000 0.60287000 1.0 Ge Ge43 1 0.50000000 0.13003000 0.39713000 1.0 Ge Ge44 1 0.00000000 0.62383600 0.09906400 1.0 Ge Ge45 1 0.00000000 0.37616400 0.90093600 1.0 Ge Ge46 1 0.00000000 0.87616400 0.59906400 1.0 Ge Ge47 1 0.00000000 0.12383600 0.40093600 1.0