# generated using pymatgen data_Ni43(GeB4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.81606664 _cell_length_b 12.81606664 _cell_length_c 12.81606681 _cell_angle_alpha 33.55509856 _cell_angle_beta 33.55509856 _cell_angle_gamma 33.55509869 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni43(GeB4)3 _chemical_formula_sum 'Ni43 Ge3 B12' _cell_volume 572.85575021 _cell_formula_units_Z 1 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 Ni Ni0 1 0.00225900 0.66172900 0.33671200 1.0 Ni Ni1 1 0.49987100 0.16342500 0.83665300 1.0 Ni Ni2 1 0.16943300 0.82908800 0.16943300 1.0 Ni Ni3 1 0.66817600 0.33204000 0.66817600 1.0 Ni Ni4 1 0.33671200 0.66172900 0.00225900 1.0 Ni Ni5 1 0.83665300 0.16342500 0.49987100 1.0 Ni Ni6 1 0.82908800 0.16943300 0.16943300 1.0 Ni Ni7 1 0.33204000 0.66817600 0.66817600 1.0 Ni Ni8 1 0.66172900 0.00225900 0.33671200 1.0 Ni Ni9 1 0.16342500 0.49987100 0.83665300 1.0 Ni Ni10 1 0.16342500 0.83665300 0.49987100 1.0 Ni Ni11 1 0.66172900 0.33671200 0.00225900 1.0 Ni Ni12 1 0.66647300 0.33206600 0.33206600 1.0 Ni Ni13 1 0.16835400 0.83166700 0.83166700 1.0 Ni Ni14 1 0.33206600 0.66647300 0.33206600 1.0 Ni Ni15 1 0.83166700 0.16835400 0.83166700 1.0 Ni Ni16 1 0.33206600 0.33206600 0.66647300 1.0 Ni Ni17 1 0.83166700 0.83166700 0.16835400 1.0 Ni Ni18 1 0.49987100 0.83665300 0.16342500 1.0 Ni Ni19 1 0.00225900 0.33671200 0.66172900 1.0 Ni Ni20 1 0.33671200 0.00225900 0.66172900 1.0 Ni Ni21 1 0.83665300 0.49987100 0.16342500 1.0 Ni Ni22 1 0.16943300 0.16943300 0.82908800 1.0 Ni Ni23 1 0.66817600 0.66817600 0.33204000 1.0 Ni Ni24 1 0.00014300 0.00014300 0.00014300 1.0 Ni Ni25 1 0.49983700 0.49983700 0.49983700 1.0 Ni Ni26 1 0.57290300 0.04536200 0.57290300 1.0 Ni Ni27 1 0.07166100 0.54713300 0.07166100 1.0 Ni Ni28 1 0.04536200 0.57290300 0.57290300 1.0 Ni Ni29 1 0.54713300 0.07166100 0.07166100 1.0 Ni Ni30 1 0.80949600 0.80949600 0.80949600 1.0 Ni Ni31 1 0.30893300 0.30893300 0.30893300 1.0 Ni Ni32 1 0.57290300 0.57290300 0.04536200 1.0 Ni Ni33 1 0.07166100 0.07166100 0.54713300 1.0 Ni Ni34 1 0.92876800 0.45200500 0.92876800 1.0 Ni Ni35 1 0.42850300 0.95248000 0.42850300 1.0 Ni Ni36 1 0.45200500 0.92876800 0.92876800 1.0 Ni Ni37 1 0.95248000 0.42850300 0.42850300 1.0 Ni Ni38 1 0.69047700 0.69047700 0.69047700 1.0 Ni Ni39 1 0.19052700 0.19052700 0.19052700 1.0 Ni Ni40 1 0.92876800 0.92876800 0.45200500 1.0 Ni Ni41 1 0.42850300 0.42850300 0.95248000 1.0 Ni Ni42 1 0.37495900 0.37495900 0.37495900 1.0 Ge Ge43 1 0.87500500 0.87500500 0.87500500 1.0 Ge Ge44 1 0.12504400 0.12504400 0.12504400 1.0 Ge Ge45 1 0.62504000 0.62504000 0.62504000 1.0 B B46 1 0.41055400 0.86313200 0.86313200 1.0 B B47 1 0.91009200 0.36321200 0.36321200 1.0 B B48 1 0.63644300 0.08990700 0.63644300 1.0 B B49 1 0.13720600 0.58941300 0.13720600 1.0 B B50 1 0.86313200 0.86313200 0.41055400 1.0 B B51 1 0.36321200 0.36321200 0.91009200 1.0 B B52 1 0.08990700 0.63644300 0.63644300 1.0 B B53 1 0.58941300 0.13720600 0.13720600 1.0 B B54 1 0.86313200 0.41055400 0.86313200 1.0 B B55 1 0.36321200 0.91009200 0.36321200 1.0 B B56 1 0.63644300 0.63644300 0.08990700 1.0 B B57 1 0.13720600 0.13720600 0.58941300 1.0