# generated using pymatgen data_Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.19257085 _cell_length_b 14.19257085 _cell_length_c 12.13877134 _cell_angle_alpha 69.00886621 _cell_angle_beta 69.00886621 _cell_angle_gamma 42.05089622 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo15Se19 _chemical_formula_sum 'Mo30 Se38' _cell_volume 1512.30117291 _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 Mo Mo0 1 0.30117700 0.80376800 0.20626000 1.0 Mo Mo1 1 0.22921800 0.81936600 0.82347900 1.0 Mo Mo2 1 0.70126300 0.58322000 0.65096700 1.0 Mo Mo3 1 0.69882300 0.19623200 0.79374000 1.0 Mo Mo4 1 0.77078200 0.18063400 0.17652100 1.0 Mo Mo5 1 0.29873700 0.41678000 0.34903300 1.0 Mo Mo6 1 0.81936600 0.22921800 0.32347900 1.0 Mo Mo7 1 0.58322000 0.70126300 0.15096700 1.0 Mo Mo8 1 0.80376800 0.30117700 0.70626000 1.0 Mo Mo9 1 0.18063400 0.77078200 0.67652100 1.0 Mo Mo10 1 0.41678000 0.29873700 0.84903300 1.0 Mo Mo11 1 0.19623200 0.69882300 0.29374000 1.0 Mo Mo12 1 0.34442000 0.59695700 0.46119400 1.0 Mo Mo13 1 0.93244600 0.26274600 0.01751000 1.0 Mo Mo14 1 0.14537000 0.87549900 0.43245100 1.0 Mo Mo15 1 0.65558000 0.40304300 0.53880600 1.0 Mo Mo16 1 0.06755400 0.73725400 0.98249000 1.0 Mo Mo17 1 0.85463000 0.12450100 0.56754900 1.0 Mo Mo18 1 0.26274600 0.93244600 0.51751000 1.0 Mo Mo19 1 0.87549900 0.14537000 0.93245100 1.0 Mo Mo20 1 0.59695700 0.34442000 0.96119400 1.0 Mo Mo21 1 0.73725400 0.06755400 0.48249000 1.0 Mo Mo22 1 0.12450100 0.85463000 0.06754900 1.0 Mo Mo23 1 0.40304300 0.65558000 0.03880600 1.0 Mo Mo24 1 0.95853900 0.32294800 0.21691700 1.0 Mo Mo25 1 0.50766200 0.49233800 0.25000000 1.0 Mo Mo26 1 0.67705200 0.04146100 0.28308300 1.0 Mo Mo27 1 0.04146100 0.67705200 0.78308300 1.0 Mo Mo28 1 0.49233800 0.50766200 0.75000000 1.0 Mo Mo29 1 0.32294800 0.95853900 0.71691700 1.0 Se Se30 1 0.50198300 0.15929200 0.46548200 1.0 Se Se31 1 0.51297300 0.32344500 0.19362200 1.0 Se Se32 1 0.60193000 0.94397900 0.27537400 1.0 Se Se33 1 0.49801700 0.84070800 0.53451800 1.0 Se Se34 1 0.48702700 0.67655500 0.80637800 1.0 Se Se35 1 0.39807000 0.05602100 0.72462600 1.0 Se Se36 1 0.32344500 0.51297300 0.69362200 1.0 Se Se37 1 0.94397900 0.60193000 0.77537400 1.0 Se Se38 1 0.15929200 0.50198300 0.96548200 1.0 Se Se39 1 0.67655500 0.48702700 0.30637800 1.0 Se Se40 1 0.05602100 0.39807000 0.22462600 1.0 Se Se41 1 0.84070800 0.49801700 0.03451800 1.0 Se Se42 1 0.13543000 0.14973400 0.59467500 1.0 Se Se43 1 0.66973100 0.41803000 0.05085200 1.0 Se Se44 1 0.63751600 0.83218300 0.09029200 1.0 Se Se45 1 0.86457000 0.85026600 0.40532500 1.0 Se Se46 1 0.33026900 0.58197000 0.94914800 1.0 Se Se47 1 0.36248400 0.16781700 0.90970800 1.0 Se Se48 1 0.41803000 0.66973100 0.55085200 1.0 Se Se49 1 0.83218300 0.63751600 0.59029200 1.0 Se Se50 1 0.14973400 0.13543000 0.09467500 1.0 Se Se51 1 0.58197000 0.33026900 0.44914800 1.0 Se Se52 1 0.16781700 0.36248400 0.40970800 1.0 Se Se53 1 0.85026600 0.86457000 0.90532500 1.0 Se Se54 1 0.86761100 0.97136600 0.08460100 1.0 Se Se55 1 0.97261300 0.02738700 0.75000000 1.0 Se Se56 1 0.02863400 0.13238900 0.41539900 1.0 Se Se57 1 0.13238900 0.02863400 0.91539900 1.0 Se Se58 1 0.02738700 0.97261300 0.25000000 1.0 Se Se59 1 0.97136600 0.86761100 0.58460100 1.0 Se Se60 1 0.43497000 0.82007100 0.99991300 1.0 Se Se61 1 0.56503000 0.17992900 0.00008700 1.0 Se Se62 1 0.82007100 0.43497000 0.49991300 1.0 Se Se63 1 0.17992900 0.56503000 0.50008700 1.0 Se Se64 1 0.12450500 0.62828000 0.19801800 1.0 Se Se65 1 0.87549500 0.37172000 0.80198200 1.0 Se Se66 1 0.62828000 0.12450500 0.69801800 1.0 Se Se67 1 0.37172000 0.87549500 0.30198200 1.0