# generated using pymatgen data_Ni8Ge2B3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93153890 _cell_length_b 6.01224193 _cell_length_c 14.51804140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni8Ge2B3 _chemical_formula_sum 'Ni16 Ge4 B6' _cell_volume 255.88223772 _cell_formula_units_Z 2 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 -0.00000000 0.92406415 -0.00000000 1.0 Ni Ni1 1 0.50000000 0.63376505 0.64521988 1.0 Ni Ni2 1 0.00000000 0.36623495 0.85478012 1.0 Ni Ni3 1 0.50000000 0.63376505 0.35478012 1.0 Ni Ni4 1 0.00000000 0.70202881 0.50000000 1.0 Ni Ni5 1 0.50000000 0.07593585 0.50000000 1.0 Ni Ni6 1 0.50000000 0.29797119 -0.00000000 1.0 Ni Ni7 1 0.00000000 0.80026306 0.22652155 1.0 Ni Ni8 1 -0.00000000 0.80026306 0.77347845 1.0 Ni Ni9 1 0.50000000 0.19973694 0.72652155 1.0 Ni Ni10 1 0.50000000 0.65909616 0.08671425 1.0 Ni Ni11 1 0.50000000 0.19973694 0.27347845 1.0 Ni Ni12 1 -0.00000000 0.34090384 0.58671425 1.0 Ni Ni13 1 0.50000000 0.65909616 0.91328575 1.0 Ni Ni14 1 0.00000000 0.34090384 0.41328575 1.0 Ni Ni15 1 0.00000000 0.36623495 0.14521988 1.0 Ge Ge16 1 0.00000000 0.96248190 0.62429473 1.0 Ge Ge17 1 0.50000000 0.03751810 0.12429473 1.0 Ge Ge18 1 -0.00000000 0.96248190 0.37570527 1.0 Ge Ge19 1 0.50000000 0.03751810 0.87570527 1.0 B B20 1 -0.00000000 0.54305086 -0.00000000 1.0 B B21 1 0.50000000 0.45694914 0.50000000 1.0 B B22 1 0.00000000 0.45967743 0.28264276 1.0 B B23 1 0.50000000 0.54032257 0.21735724 1.0 B B24 1 0.00000000 0.45967743 0.71735724 1.0 B B25 1 0.50000000 0.54032257 0.78264276 1.0