# generated using pymatgen data_Cr5SiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59808000 _cell_length_b 5.59808000 _cell_length_c 10.37002400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr5SiB2 _chemical_formula_sum 'Cr20 Si4 B8' _cell_volume 324.98099387 _cell_formula_units_Z 4 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 Cr Cr0 1 0.16667100 0.66667100 0.13727200 1.0 Cr Cr1 1 0.83332900 0.33332900 0.13727200 1.0 Cr Cr2 1 0.33332900 0.16667100 0.13727200 1.0 Cr Cr3 1 0.66667100 0.83332900 0.13727200 1.0 Cr Cr4 1 0.83332900 0.66667100 0.36272800 1.0 Cr Cr5 1 0.16667100 0.33332900 0.36272800 1.0 Cr Cr6 1 0.66667100 0.16667100 0.36272800 1.0 Cr Cr7 1 0.33332900 0.83332900 0.36272800 1.0 Cr Cr8 1 0.83332900 0.33332900 0.86272800 1.0 Cr Cr9 1 0.16667100 0.66667100 0.86272800 1.0 Cr Cr10 1 0.66667100 0.83332900 0.86272800 1.0 Cr Cr11 1 0.33332900 0.16667100 0.86272800 1.0 Cr Cr12 1 0.16667100 0.33332900 0.63727200 1.0 Cr Cr13 1 0.83332900 0.66667100 0.63727200 1.0 Cr Cr14 1 0.33332900 0.83332900 0.63727200 1.0 Cr Cr15 1 0.66667100 0.16667100 0.63727200 1.0 Cr Cr16 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr17 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr18 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr19 1 0.50000000 0.50000000 0.00000000 1.0 Si Si20 1 0.00000000 0.00000000 0.25000000 1.0 Si Si21 1 0.00000000 0.00000000 0.75000000 1.0 Si Si22 1 0.50000000 0.50000000 0.75000000 1.0 Si Si23 1 0.50000000 0.50000000 0.25000000 1.0 B B24 1 0.61939200 0.11939200 0.00000000 1.0 B B25 1 0.38060800 0.88060800 0.00000000 1.0 B B26 1 0.88060800 0.61939200 0.00000000 1.0 B B27 1 0.11939200 0.38060800 0.00000000 1.0 B B28 1 0.38060800 0.11939200 0.50000000 1.0 B B29 1 0.61939200 0.88060800 0.50000000 1.0 B B30 1 0.11939200 0.61939200 0.50000000 1.0 B B31 1 0.88060800 0.38060800 0.50000000 1.0