# generated using pymatgen data_Nd13(B2O13)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.77593400 _cell_length_b 6.79947100 _cell_length_c 14.42633718 _cell_angle_alpha 80.34674610 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd13(B2O13)2 _chemical_formula_sum 'Nd26 B8 O52' _cell_volume 1235.46534182 _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 Nd Nd0 1 0.50000000 0.00000000 0.50000000 1.0 Nd Nd1 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd2 1 0.61100600 0.48728600 0.58630900 1.0 Nd Nd3 1 0.11100600 0.51271400 0.91369100 1.0 Nd Nd4 1 0.38899400 0.51271400 0.41369100 1.0 Nd Nd5 1 0.88899400 0.48728600 0.08630900 1.0 Nd Nd6 1 0.69204400 0.85669900 0.97117600 1.0 Nd Nd7 1 0.19204400 0.14330100 0.52882400 1.0 Nd Nd8 1 0.30795600 0.14330100 0.02882400 1.0 Nd Nd9 1 0.80795600 0.85669900 0.47117600 1.0 Nd Nd10 1 0.88509900 0.32828700 0.55558700 1.0 Nd Nd11 1 0.38509900 0.67171300 0.94441300 1.0 Nd Nd12 1 0.11490100 0.67171300 0.44441300 1.0 Nd Nd13 1 0.61490100 0.32828700 0.05558700 1.0 Nd Nd14 1 0.80144100 0.37584900 0.83862200 1.0 Nd Nd15 1 0.30144100 0.62415100 0.66137800 1.0 Nd Nd16 1 0.19855900 0.62415100 0.16137800 1.0 Nd Nd17 1 0.69855900 0.37584900 0.33862200 1.0 Nd Nd18 1 0.99934000 0.76674500 0.66828700 1.0 Nd Nd19 1 0.49934000 0.23325500 0.83171300 1.0 Nd Nd20 1 0.00066000 0.23325500 0.33171300 1.0 Nd Nd21 1 0.50066000 0.76674500 0.16828700 1.0 Nd Nd22 1 0.71356000 0.94416400 0.70058100 1.0 Nd Nd23 1 0.21356000 0.05583600 0.79941900 1.0 Nd Nd24 1 0.28644000 0.05583600 0.29941900 1.0 Nd Nd25 1 0.78644000 0.94416400 0.20058100 1.0 B B26 1 0.90449800 0.86058300 0.83718400 1.0 B B27 1 0.40449800 0.13941700 0.66281600 1.0 B B28 1 0.09550200 0.13941700 0.16281600 1.0 B B29 1 0.59550200 0.86058300 0.33718400 1.0 B B30 1 0.55098500 0.67790700 0.78962600 1.0 B B31 1 0.05098500 0.32209300 0.71037400 1.0 B B32 1 0.44901500 0.32209300 0.21037400 1.0 B B33 1 0.94901500 0.67790700 0.28962600 1.0 O O34 1 0.35122800 0.98985000 0.62915300 1.0 O O35 1 0.85122800 0.01015000 0.87084700 1.0 O O36 1 0.64877200 0.01015000 0.37084700 1.0 O O37 1 0.14877200 0.98985000 0.12915300 1.0 O O38 1 0.01201700 0.83824500 0.84834500 1.0 O O39 1 0.51201700 0.16175500 0.65165500 1.0 O O40 1 0.98798300 0.16175500 0.15165500 1.0 O O41 1 0.48798300 0.83824500 0.34834500 1.0 O O42 1 0.84946900 0.73406600 0.78828800 1.0 O O43 1 0.34946900 0.26593400 0.71171200 1.0 O O44 1 0.15053100 0.26593400 0.21171200 1.0 O O45 1 0.65053100 0.73406600 0.28828800 1.0 O O46 1 0.63121500 0.57520100 0.75472000 1.0 O O47 1 0.13121500 0.42479900 0.74528000 1.0 O O48 1 0.36878500 0.42479900 0.24528000 1.0 O O49 1 0.86878500 0.57520100 0.25472000 1.0 O O50 1 0.95111200 0.40010500 0.71079700 1.0 O O51 1 0.45111200 0.59989500 0.78920300 1.0 O O52 1 0.04888800 0.59989500 0.28920300 1.0 O O53 1 0.54888800 0.40010500 0.21079700 1.0 O O54 1 0.57422500 0.85273100 0.82533000 1.0 O O55 1 0.07422500 0.14726900 0.67467000 1.0 O O56 1 0.42577500 0.14726900 0.17467000 1.0 O O57 1 0.92577500 0.85273100 0.32533000 1.0 O O58 1 0.65499200 0.83907500 0.56884300 1.0 O O59 1 0.15499200 0.16092500 0.93115700 1.0 O O60 1 0.34500800 0.16092500 0.43115700 1.0 O O61 1 0.84500800 0.83907500 0.06884300 1.0 O O62 1 0.05448400 0.65449600 0.04954600 1.0 O O63 1 0.55448400 0.34550400 0.45045400 1.0 O O64 1 0.94551600 0.34550400 0.95045400 1.0 O O65 1 0.44551600 0.65449600 0.54954600 1.0 O O66 1 0.73837500 0.28037600 0.67836600 1.0 O O67 1 0.23837500 0.71962400 0.82163400 1.0 O O68 1 0.26162500 0.71962400 0.32163400 1.0 O O69 1 0.76162500 0.28037600 0.17836600 1.0 O O70 1 0.86439500 0.97643100 0.60624400 1.0 O O71 1 0.36439500 0.02356900 0.89375600 1.0 O O72 1 0.13560500 0.02356900 0.39375600 1.0 O O73 1 0.63560500 0.97643100 0.10624400 1.0 O O74 1 0.75125000 0.52054000 0.97840100 1.0 O O75 1 0.25125000 0.47946000 0.52159900 1.0 O O76 1 0.24875000 0.47946000 0.02159900 1.0 O O77 1 0.74875000 0.52054000 0.47840100 1.0 O O78 1 0.15650700 0.80578900 0.59020700 1.0 O O79 1 0.65650700 0.19421100 0.90979300 1.0 O O80 1 0.84349300 0.19421100 0.40979300 1.0 O O81 1 0.34349300 0.80578900 0.09020700 1.0 O O82 1 0.95382900 0.66577900 0.53109800 1.0 O O83 1 0.45382900 0.33422100 0.96890200 1.0 O O84 1 0.04617100 0.33422100 0.46890200 1.0 O O85 1 0.54617100 0.66577900 0.03109800 1.0