# generated using pymatgen data_Ni23B6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36370112 _cell_length_b 7.36370112 _cell_length_c 7.36370112 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni23B6 _chemical_formula_sum 'Ni23 B6' _cell_volume 282.34068353 _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 0.00000000 0.00000000 0.33854900 1.0 Ni Ni1 1 0.00000000 0.00000000 0.66145100 1.0 Ni Ni2 1 0.00000000 0.33854900 0.00000000 1.0 Ni Ni3 1 0.66145100 0.00000000 0.33854900 1.0 Ni Ni4 1 0.33854900 0.00000000 0.00000000 1.0 Ni Ni5 1 0.00000000 0.66145100 0.00000000 1.0 Ni Ni6 1 0.33854900 0.00000000 0.66145100 1.0 Ni Ni7 1 0.00000000 0.66145100 0.33854900 1.0 Ni Ni8 1 0.33854900 0.66145100 0.00000000 1.0 Ni Ni9 1 0.61844200 0.14467400 0.61844200 1.0 Ni Ni10 1 0.38155800 0.38155800 0.85532600 1.0 Ni Ni11 1 0.85532600 0.38155800 0.38155800 1.0 Ni Ni12 1 0.38155800 0.38155800 0.38155800 1.0 Ni Ni13 1 0.14467400 0.61844200 0.61844200 1.0 Ni Ni14 1 0.61844200 0.61844200 0.61844200 1.0 Ni Ni15 1 0.61844200 0.61844200 0.14467400 1.0 Ni Ni16 1 0.38155800 0.85532600 0.38155800 1.0 Ni Ni17 1 0.66145100 0.00000000 0.00000000 1.0 Ni Ni18 1 0.00000000 0.33854900 0.66145100 1.0 Ni Ni19 1 0.66145100 0.33854900 0.00000000 1.0 Ni Ni20 1 0.25000000 0.25000000 0.25000000 1.0 Ni Ni21 1 0.75000000 0.75000000 0.75000000 1.0 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0 B B23 1 0.72641000 0.72641000 0.27359000 1.0 B B24 1 0.72641000 0.27359000 0.72641000 1.0 B B25 1 0.27359000 0.72641000 0.27359000 1.0 B B26 1 0.72641000 0.27359000 0.27359000 1.0 B B27 1 0.27359000 0.72641000 0.72641000 1.0 B B28 1 0.27359000 0.27359000 0.72641000 1.0