# generated using pymatgen data_ErNi3Ge2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.99684702 _cell_length_b 17.99684702 _cell_length_c 3.79588900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000374 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErNi3Ge2 _chemical_formula_sum 'Er12 Ni36 Ge24' _cell_volume 1064.72381820 _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 Er Er0 1 0.50000000 0.00000000 0.00000000 1.0 Er Er1 1 0.00000000 0.50000000 0.00000000 1.0 Er Er2 1 0.23447000 0.32688100 0.00000000 1.0 Er Er3 1 0.32688100 0.09241100 0.00000000 1.0 Er Er4 1 0.50000000 0.50000000 0.00000000 1.0 Er Er5 1 0.33333300 0.66666700 0.50000000 1.0 Er Er6 1 0.67311900 0.90758900 0.00000000 1.0 Er Er7 1 0.90758900 0.23447000 0.00000000 1.0 Er Er8 1 0.09241100 0.76553000 0.00000000 1.0 Er Er9 1 0.76553000 0.67311900 0.00000000 1.0 Er Er10 1 0.00000000 0.00000000 0.00000000 1.0 Er Er11 1 0.66666700 0.33333300 0.50000000 1.0 Ni Ni12 1 0.83946300 0.95241100 0.50000000 1.0 Ni Ni13 1 0.61142300 0.70121600 0.00000000 1.0 Ni Ni14 1 0.48791000 0.73206000 0.00000000 1.0 Ni Ni15 1 0.72321100 0.78998900 0.50000000 1.0 Ni Ni16 1 0.51337600 0.37922600 0.50000000 1.0 Ni Ni17 1 0.16053700 0.04758900 0.50000000 1.0 Ni Ni18 1 0.06677800 0.27678900 0.50000000 1.0 Ni Ni19 1 0.51817100 0.85836700 0.50000000 1.0 Ni Ni20 1 0.70121600 0.08979300 0.00000000 1.0 Ni Ni21 1 0.38857700 0.29878400 0.00000000 1.0 Ni Ni22 1 0.78998900 0.06677800 0.50000000 1.0 Ni Ni23 1 0.24415000 0.51209000 0.00000000 1.0 Ni Ni24 1 0.75585000 0.48791000 0.00000000 1.0 Ni Ni25 1 0.34019600 0.48182900 0.50000000 1.0 Ni Ni26 1 0.21001100 0.93322200 0.50000000 1.0 Ni Ni27 1 0.48182900 0.14163300 0.50000000 1.0 Ni Ni28 1 0.62077400 0.13415000 0.50000000 1.0 Ni Ni29 1 0.26794000 0.75585000 0.00000000 1.0 Ni Ni30 1 0.73206000 0.24415000 0.00000000 1.0 Ni Ni31 1 0.29878400 0.91020700 0.00000000 1.0 Ni Ni32 1 0.27678900 0.21001100 0.50000000 1.0 Ni Ni33 1 0.95241100 0.11294800 0.50000000 1.0 Ni Ni34 1 0.93322200 0.72321100 0.50000000 1.0 Ni Ni35 1 0.65980400 0.51817100 0.50000000 1.0 Ni Ni36 1 0.86585000 0.48662400 0.50000000 1.0 Ni Ni37 1 0.11294800 0.16053700 0.50000000 1.0 Ni Ni38 1 0.91020700 0.61142300 0.00000000 1.0 Ni Ni39 1 0.51209000 0.26794000 0.00000000 1.0 Ni Ni40 1 0.85836700 0.34019600 0.50000000 1.0 Ni Ni41 1 0.37922600 0.86585000 0.50000000 1.0 Ni Ni42 1 0.13415000 0.51337600 0.50000000 1.0 Ni Ni43 1 0.14163300 0.65980400 0.50000000 1.0 Ni Ni44 1 0.88705200 0.83946300 0.50000000 1.0 Ni Ni45 1 0.48662400 0.62077400 0.50000000 1.0 Ni Ni46 1 0.04758900 0.88705200 0.50000000 1.0 Ni Ni47 1 0.08979300 0.38857700 0.00000000 1.0 Ge Ge48 1 0.81146800 0.58060300 0.50000000 1.0 Ge Ge49 1 0.63124500 0.00369200 0.50000000 1.0 Ge Ge50 1 0.85665300 0.04680500 0.00000000 1.0 Ge Ge51 1 0.41943800 0.81216900 0.00000000 1.0 Ge Ge52 1 0.14334700 0.95319500 0.00000000 1.0 Ge Ge53 1 0.58060300 0.76913500 0.50000000 1.0 Ge Ge54 1 0.76913500 0.18853200 0.50000000 1.0 Ge Ge55 1 0.95319500 0.80984900 0.00000000 1.0 Ge Ge56 1 0.39273100 0.58056200 0.00000000 1.0 Ge Ge57 1 0.81216900 0.39273100 0.00000000 1.0 Ge Ge58 1 0.19015100 0.14334700 0.00000000 1.0 Ge Ge59 1 0.99630800 0.62755300 0.50000000 1.0 Ge Ge60 1 0.36875500 0.99630800 0.50000000 1.0 Ge Ge61 1 0.04680500 0.19015100 0.00000000 1.0 Ge Ge62 1 0.23086500 0.81146800 0.50000000 1.0 Ge Ge63 1 0.18783100 0.60726900 0.00000000 1.0 Ge Ge64 1 0.37244700 0.36875500 0.50000000 1.0 Ge Ge65 1 0.41939700 0.23086500 0.50000000 1.0 Ge Ge66 1 0.62755300 0.63124500 0.50000000 1.0 Ge Ge67 1 0.80984900 0.85665300 0.00000000 1.0 Ge Ge68 1 0.18853200 0.41939700 0.50000000 1.0 Ge Ge69 1 0.00369200 0.37244700 0.50000000 1.0 Ge Ge70 1 0.60726900 0.41943800 0.00000000 1.0 Ge Ge71 1 0.58056200 0.18783100 0.00000000 1.0