# generated using pymatgen data_Si2Ni8B3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88334079 _cell_length_b 5.91713630 _cell_length_c 14.36306231 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Ni8B3 _chemical_formula_sum 'Si4 Ni16 B6' _cell_volume 245.04993592 _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 Si Si0 1 0.00000000 0.96334169 0.62346481 1.0 Si Si1 1 0.50000000 0.03665831 0.12346481 1.0 Si Si2 1 0.00000000 0.96334169 0.37653519 1.0 Si Si3 1 0.50000000 0.03665831 0.87653519 1.0 Ni Ni4 1 0.00000000 0.93164025 0.00000000 1.0 Ni Ni5 1 0.50000000 0.64374918 0.64406753 1.0 Ni Ni6 1 0.00000000 0.35625082 0.85593247 1.0 Ni Ni7 1 0.50000000 0.64374918 0.35593247 1.0 Ni Ni8 1 0.00000000 0.70744057 0.50000000 1.0 Ni Ni9 1 0.50000000 0.06835975 0.50000000 1.0 Ni Ni10 1 0.50000000 0.29255943 0.00000000 1.0 Ni Ni11 1 0.00000000 0.81458993 0.22668049 1.0 Ni Ni12 1 0.00000000 0.81458993 0.77331951 1.0 Ni Ni13 1 0.50000000 0.18541007 0.72668049 1.0 Ni Ni14 1 0.50000000 0.66366825 0.08773420 1.0 Ni Ni15 1 0.50000000 0.18541007 0.27331951 1.0 Ni Ni16 1 0.00000000 0.33633175 0.58773420 1.0 Ni Ni17 1 0.50000000 0.66366825 0.91226580 1.0 Ni Ni18 1 0.00000000 0.33633175 0.41226580 1.0 Ni Ni19 1 0.00000000 0.35625082 0.14406753 1.0 B B20 1 0.00000000 0.54307515 0.00000000 1.0 B B21 1 0.50000000 0.45692485 0.50000000 1.0 B B22 1 0.00000000 0.45968827 0.28247069 1.0 B B23 1 0.50000000 0.54031173 0.21752931 1.0 B B24 1 0.00000000 0.45968827 0.71752931 1.0 B B25 1 0.50000000 0.54031173 0.78247069 1.0