# generated using pymatgen data_Si2Ni4BW6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71409006 _cell_length_b 7.71408993 _cell_length_c 7.71409051 _cell_angle_alpha 60.00000171 _cell_angle_beta 60.00000229 _cell_angle_gamma 59.99999852 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Ni4BW6 _chemical_formula_sum 'Si4 Ni8 B2 W12' _cell_volume 324.59299479 _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 0.62500000 0.62500000 0.12500000 1.0 Si Si1 1 0.62500000 0.12500000 0.62500000 1.0 Si Si2 1 0.12500000 0.62500000 0.62500000 1.0 Si Si3 1 0.62500000 0.62500000 0.62500000 1.0 Ni Ni4 1 0.41873576 0.41873576 0.74379173 1.0 Ni Ni5 1 0.41873576 0.74379173 0.41873576 1.0 Ni Ni6 1 0.74379173 0.41873576 0.41873576 1.0 Ni Ni7 1 0.41873576 0.41873576 0.41873576 1.0 Ni Ni8 1 0.83126424 0.83126424 0.50620827 1.0 Ni Ni9 1 0.83126424 0.50620827 0.83126424 1.0 Ni Ni10 1 0.50620827 0.83126424 0.83126424 1.0 Ni Ni11 1 0.83126424 0.83126424 0.83126424 1.0 B B12 1 0.25000000 0.25000000 0.25000000 1.0 B B13 1 0.00000000 0.00000000 0.00000000 1.0 W W14 1 0.05171065 0.05171065 0.44828935 1.0 W W15 1 0.44828935 0.05171065 0.44828935 1.0 W W16 1 0.05171065 0.44828935 0.44828935 1.0 W W17 1 0.44828935 0.44828935 0.05171065 1.0 W W18 1 0.05171065 0.44828935 0.05171065 1.0 W W19 1 0.44828935 0.05171065 0.05171065 1.0 W W20 1 0.19828935 0.19828935 0.80171065 1.0 W W21 1 0.80171065 0.19828935 0.80171065 1.0 W W22 1 0.19828935 0.80171065 0.80171065 1.0 W W23 1 0.80171065 0.80171065 0.19828935 1.0 W W24 1 0.19828935 0.80171065 0.19828935 1.0 W W25 1 0.80171065 0.19828935 0.19828935 1.0