# generated using pymatgen data_B4C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11642600 _cell_length_b 5.11644032 _cell_length_c 22.36454111 _cell_angle_alpha 94.81435722 _cell_angle_beta 92.88310096 _cell_angle_gamma 114.40326898 _symmetry_Int_Tables_number 1 _chemical_formula_structural B4C _chemical_formula_sum 'B56 C14' _cell_volume 528.93644545 _cell_formula_units_Z 14 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 B B0 1 0.99056100 0.67103600 0.00153100 1.0 B B1 1 0.19274800 0.00176800 0.93433700 1.0 B B2 1 0.32352500 0.00398900 0.00138100 1.0 B B3 1 0.60451200 0.66439500 0.80000500 1.0 B B4 1 0.80328000 0.99337000 0.73404300 1.0 B B5 1 0.60903100 0.79971700 0.86460900 1.0 B B6 1 0.30769800 0.32520200 0.96207500 1.0 B B7 1 0.94865800 0.99483200 0.80013100 1.0 B B8 1 0.78794600 0.80477800 0.96207600 1.0 B B9 1 0.40514900 0.99937600 0.53202600 1.0 B B10 1 0.92402200 0.31522400 0.75976500 1.0 B B11 1 0.20765300 0.79970900 0.66316400 1.0 B B12 1 0.80151500 0.19906700 0.84014900 1.0 B B13 1 0.53269400 0.99968100 0.59881700 1.0 B B14 1 0.40149500 0.79847400 0.75956000 1.0 B B15 1 0.98265800 0.20514600 0.93757600 1.0 B B16 1 0.27896900 0.68248300 0.84023000 1.0 B B17 1 0.81635900 0.66135700 0.39724900 1.0 B B18 1 0.81765800 0.79653800 0.46212100 1.0 B B19 1 0.51994900 0.32257500 0.55957800 1.0 B B20 1 0.39474100 0.20394400 0.63998200 1.0 B B21 1 0.14652500 0.99156000 0.39707000 1.0 B B22 1 0.00330000 0.80013200 0.55950500 1.0 B B23 1 0.87727400 0.68072700 0.64020000 1.0 B B24 1 0.58939500 0.19771400 0.73660400 1.0 B B25 1 0.39557100 0.00175300 0.86777500 1.0 B B26 1 0.59626500 0.32962300 0.80101300 1.0 B B27 1 0.40461400 0.66852400 0.19892400 1.0 B B28 1 0.13425500 0.31239000 0.35726000 1.0 B B29 1 0.41062300 0.79938100 0.26320200 1.0 B B30 1 0.01095800 0.19453200 0.43760800 1.0 B B31 1 0.86452500 0.00505700 0.59985000 1.0 B B32 1 0.73435300 0.99824500 0.19892500 1.0 B B33 1 0.61533800 0.79330300 0.35723600 1.0 B B34 1 0.49148300 0.67564100 0.43759900 1.0 B B35 1 0.19341900 0.20379700 0.53518400 1.0 B B36 1 0.99560000 0.00593300 0.66576900 1.0 B B37 1 0.19523000 0.34946500 0.59972800 1.0 B B38 1 0.71989400 0.31842400 0.16012200 1.0 B B39 1 0.99749400 0.80402700 0.06594400 1.0 B B40 1 0.59664500 0.19848200 0.24040800 1.0 B B41 1 0.47775900 0.99618800 0.39794700 1.0 B B42 1 0.20082500 0.79935900 0.16012500 1.0 B B43 1 0.07994600 0.68177400 0.24040600 1.0 B B44 1 0.80324100 0.19393000 0.33408000 1.0 B B45 1 0.60430700 0.99740100 0.46527200 1.0 B B46 1 0.80878300 0.32727800 0.39809400 1.0 B B47 1 0.18608200 0.20448100 0.04258800 1.0 B B48 1 0.06472000 0.00274300 0.20080400 1.0 B B49 1 0.39144400 0.19838200 0.13658800 1.0 B B50 1 0.66684600 0.68542600 0.04261800 1.0 B B51 1 0.19334400 0.00045500 0.26859600 1.0 B B52 1 0.39446300 0.33249700 0.20080500 1.0 B B53 1 0.65292900 0.00700000 0.00258200 1.0 B B54 1 0.98438900 0.33836400 0.00275400 1.0 B B55 1 0.78189900 0.00500200 0.07084800 1.0 C C56 1 0.58512400 0.63071600 0.92770400 1.0 C C57 1 0.20070700 0.67895800 0.59906400 1.0 C C58 1 0.20450200 0.61974100 0.72367300 1.0 C C59 1 0.99941000 0.37498700 0.87537000 1.0 C C60 1 0.00468100 0.99341000 0.33382300 1.0 C C61 1 0.27613800 0.99816600 0.80078400 1.0 C C62 1 0.80273100 0.62518500 0.52427800 1.0 C C63 1 0.59103500 0.37600700 0.67608100 1.0 C C64 1 0.59223500 0.99991400 0.13578500 1.0 C C65 1 0.41809700 0.61624800 0.32167900 1.0 C C66 1 0.21358300 0.36911700 0.47211500 1.0 C C67 1 0.99819300 0.62621800 0.12506900 1.0 C C68 1 0.80360100 0.37363800 0.27414200 1.0 C C69 1 0.39540400 0.37603800 0.07599700 1.0