# generated using pymatgen data_In3Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.68753800 _cell_length_b 9.91627300 _cell_length_c 9.98722598 _cell_angle_alpha 60.50439227 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In3Mo15Se19 _chemical_formula_sum 'In6 Mo30 Se38' _cell_volume 1697.07240232 _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 In In0 1 0.37555600 0.32353300 0.33385800 1.0 In In1 1 0.87555600 0.67646700 0.66614200 1.0 In In2 1 0.62444400 0.67646700 0.66614200 1.0 In In3 1 0.12444400 0.32353300 0.33385800 1.0 In In4 1 0.25000000 0.77934200 0.18120500 1.0 In In5 1 0.75000000 0.22065800 0.81879500 1.0 Mo Mo6 1 0.36601300 0.68251900 0.81305100 1.0 Mo Mo7 1 0.36447600 0.50383800 0.68602500 1.0 Mo Mo8 1 0.36544100 0.81153400 0.50924200 1.0 Mo Mo9 1 0.86601300 0.31748100 0.18694900 1.0 Mo Mo10 1 0.86447600 0.49616200 0.31397500 1.0 Mo Mo11 1 0.86544100 0.18846600 0.49075800 1.0 Mo Mo12 1 0.63398700 0.31748100 0.18694900 1.0 Mo Mo13 1 0.63552400 0.49616200 0.31397500 1.0 Mo Mo14 1 0.63455900 0.18846600 0.49075800 1.0 Mo Mo15 1 0.13398700 0.68251900 0.81305100 1.0 Mo Mo16 1 0.13552400 0.50383800 0.68602500 1.0 Mo Mo17 1 0.13455900 0.81153400 0.50924200 1.0 Mo Mo18 1 0.44422400 0.98336700 0.85269500 1.0 Mo Mo19 1 0.44423300 0.16242600 0.98729600 1.0 Mo Mo20 1 0.44246800 0.85149600 0.16239800 1.0 Mo Mo21 1 0.94422400 0.01663300 0.14730500 1.0 Mo Mo22 1 0.94423300 0.83757400 0.01270400 1.0 Mo Mo23 1 0.94246800 0.14850400 0.83760200 1.0 Mo Mo24 1 0.55577600 0.01663300 0.14730500 1.0 Mo Mo25 1 0.55576700 0.83757400 0.01270400 1.0 Mo Mo26 1 0.55753200 0.14850400 0.83760200 1.0 Mo Mo27 1 0.05577600 0.98336700 0.85269500 1.0 Mo Mo28 1 0.05576700 0.16242600 0.98729600 1.0 Mo Mo29 1 0.05753200 0.85149600 0.16239800 1.0 Mo Mo30 1 0.25000000 0.82834300 0.65679400 1.0 Mo Mo31 1 0.25000000 0.51093300 0.83019700 1.0 Mo Mo32 1 0.25000000 0.65436100 0.51016900 1.0 Mo Mo33 1 0.75000000 0.17165700 0.34320600 1.0 Mo Mo34 1 0.75000000 0.48906700 0.16980300 1.0 Mo Mo35 1 0.75000000 0.34563900 0.48983100 1.0 Se Se36 1 0.25000000 0.68745500 0.95522500 1.0 Se Se37 1 0.25000000 0.35489300 0.68523600 1.0 Se Se38 1 0.25000000 0.95860700 0.35876500 1.0 Se Se39 1 0.75000000 0.31254500 0.04477500 1.0 Se Se40 1 0.75000000 0.64510700 0.31476400 1.0 Se Se41 1 0.75000000 0.04139300 0.64123500 1.0 Se Se42 1 0.33970200 0.00633000 0.98995700 1.0 Se Se43 1 0.83970200 0.99367000 0.01004300 1.0 Se Se44 1 0.66029800 0.99367000 0.01004300 1.0 Se Se45 1 0.16029800 0.00633000 0.98995700 1.0 Se Se46 1 0.35843100 0.98840800 0.63486600 1.0 Se Se47 1 0.35801300 0.37871100 0.98887000 1.0 Se Se48 1 0.36643500 0.62485300 0.38961500 1.0 Se Se49 1 0.85843100 0.01159200 0.36513400 1.0 Se Se50 1 0.85801300 0.62128900 0.01113000 1.0 Se Se51 1 0.86643500 0.37514700 0.61038500 1.0 Se Se52 1 0.64156900 0.01159200 0.36513400 1.0 Se Se53 1 0.64198700 0.62128900 0.01113000 1.0 Se Se54 1 0.63356500 0.37514700 0.61038500 1.0 Se Se55 1 0.14156900 0.98840800 0.63486600 1.0 Se Se56 1 0.14198700 0.37871100 0.98887000 1.0 Se Se57 1 0.13356500 0.62485300 0.38961500 1.0 Se Se58 1 0.44746500 0.68023000 0.03390200 1.0 Se Se59 1 0.45015300 0.28680500 0.68593300 1.0 Se Se60 1 0.44665500 0.02900400 0.28724000 1.0 Se Se61 1 0.94746500 0.31977000 0.96609800 1.0 Se Se62 1 0.95015300 0.71319500 0.31406700 1.0 Se Se63 1 0.94665500 0.97099600 0.71276000 1.0 Se Se64 1 0.55253500 0.31977000 0.96609800 1.0 Se Se65 1 0.54984700 0.71319500 0.31406700 1.0 Se Se66 1 0.55334500 0.97099600 0.71276000 1.0 Se Se67 1 0.05253500 0.68023000 0.03390200 1.0 Se Se68 1 0.04984700 0.28680500 0.68593300 1.0 Se Se69 1 0.05334500 0.02900400 0.28724000 1.0 Se Se70 1 0.96883800 0.33204700 0.33088700 1.0 Se Se71 1 0.46883800 0.66795300 0.66911300 1.0 Se Se72 1 0.03116200 0.66795300 0.66911300 1.0 Se Se73 1 0.53116200 0.33204700 0.33088700 1.0