# generated using pymatgen data_Cd2Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 20.18522556 _cell_length_b 20.18522556 _cell_length_c 20.18522520 _cell_angle_alpha 28.07703246 _cell_angle_beta 28.07703246 _cell_angle_gamma 28.07703200 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2Mo15Se19 _chemical_formula_sum 'Cd4 Mo30 Se38' _cell_volume 1609.30474630 _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 Cd Cd0 1 0.88596500 0.88596500 0.88596500 1.0 Cd Cd1 1 0.38596500 0.38596500 0.38596500 1.0 Cd Cd2 1 0.11403500 0.11403500 0.11403500 1.0 Cd Cd3 1 0.61403500 0.61403500 0.61403500 1.0 Mo Mo4 1 0.81191500 0.99952200 0.12880800 1.0 Mo Mo5 1 0.12880800 0.81191500 0.99952200 1.0 Mo Mo6 1 0.99952200 0.12880800 0.81191500 1.0 Mo Mo7 1 0.62880800 0.49952200 0.31191500 1.0 Mo Mo8 1 0.31191500 0.62880800 0.49952200 1.0 Mo Mo9 1 0.49952200 0.31191500 0.62880800 1.0 Mo Mo10 1 0.18808500 0.00047800 0.87119200 1.0 Mo Mo11 1 0.87119200 0.18808500 0.00047800 1.0 Mo Mo12 1 0.00047800 0.87119200 0.18808500 1.0 Mo Mo13 1 0.37119200 0.50047800 0.68808500 1.0 Mo Mo14 1 0.68808500 0.37119200 0.50047800 1.0 Mo Mo15 1 0.50047800 0.68808500 0.37119200 1.0 Mo Mo16 1 0.63849000 0.77816000 0.95197600 1.0 Mo Mo17 1 0.95197600 0.63849000 0.77816000 1.0 Mo Mo18 1 0.77816000 0.95197600 0.63849000 1.0 Mo Mo19 1 0.45197600 0.27816000 0.13849000 1.0 Mo Mo20 1 0.13849000 0.45197600 0.27816000 1.0 Mo Mo21 1 0.27816000 0.13849000 0.45197600 1.0 Mo Mo22 1 0.36151000 0.22184000 0.04802400 1.0 Mo Mo23 1 0.04802400 0.36151000 0.22184000 1.0 Mo Mo24 1 0.22184000 0.04802400 0.36151000 1.0 Mo Mo25 1 0.54802400 0.72184000 0.86151000 1.0 Mo Mo26 1 0.86151000 0.54802400 0.72184000 1.0 Mo Mo27 1 0.72184000 0.86151000 0.54802400 1.0 Mo Mo28 1 0.59080600 0.90919400 0.75000000 1.0 Mo Mo29 1 0.75000000 0.59080600 0.90919400 1.0 Mo Mo30 1 0.90919400 0.75000000 0.59080600 1.0 Mo Mo31 1 0.25000000 0.40919400 0.09080600 1.0 Mo Mo32 1 0.09080600 0.25000000 0.40919400 1.0 Mo Mo33 1 0.40919400 0.09080600 0.25000000 1.0 Se Se34 1 0.94316800 0.69957500 0.30655400 1.0 Se Se35 1 0.30655400 0.94316800 0.69957500 1.0 Se Se36 1 0.69957500 0.30655400 0.94316800 1.0 Se Se37 1 0.80655400 0.19957500 0.44316800 1.0 Se Se38 1 0.44316800 0.80655400 0.19957500 1.0 Se Se39 1 0.19957500 0.44316800 0.80655400 1.0 Se Se40 1 0.05683200 0.30042500 0.69344600 1.0 Se Se41 1 0.69344600 0.05683200 0.30042500 1.0 Se Se42 1 0.30042500 0.69344600 0.05683200 1.0 Se Se43 1 0.19344600 0.80042500 0.55683200 1.0 Se Se44 1 0.55683200 0.19344600 0.80042500 1.0 Se Se45 1 0.80042500 0.55683200 0.19344600 1.0 Se Se46 1 0.45895000 0.07762100 0.82040200 1.0 Se Se47 1 0.82040200 0.45895000 0.07762000 1.0 Se Se48 1 0.07762100 0.82040200 0.45895000 1.0 Se Se49 1 0.32040200 0.57762000 0.95895000 1.0 Se Se50 1 0.95895000 0.32040200 0.57762100 1.0 Se Se51 1 0.57762100 0.95895000 0.32040200 1.0 Se Se52 1 0.54105000 0.92237900 0.17959800 1.0 Se Se53 1 0.17959800 0.54105000 0.92238000 1.0 Se Se54 1 0.92238000 0.17959800 0.54105000 1.0 Se Se55 1 0.67959800 0.42238000 0.04105000 1.0 Se Se56 1 0.04105000 0.67959800 0.42238000 1.0 Se Se57 1 0.42238000 0.04105000 0.67959800 1.0 Se Se58 1 0.05641000 0.44359000 0.75000000 1.0 Se Se59 1 0.75000000 0.05641000 0.44359000 1.0 Se Se60 1 0.44359000 0.75000000 0.05641000 1.0 Se Se61 1 0.25000000 0.94359000 0.55641000 1.0 Se Se62 1 0.55641000 0.25000000 0.94359000 1.0 Se Se63 1 0.94359000 0.55641000 0.25000000 1.0 Se Se64 1 0.94509100 0.94509100 0.94509100 1.0 Se Se65 1 0.44509100 0.44509100 0.44509100 1.0 Se Se66 1 0.05490900 0.05490900 0.05490900 1.0 Se Se67 1 0.55490900 0.55490900 0.55490900 1.0 Se Se68 1 0.82453400 0.82453400 0.82453400 1.0 Se Se69 1 0.32453400 0.32453400 0.32453400 1.0 Se Se70 1 0.17546600 0.17546600 0.17546600 1.0 Se Se71 1 0.67546600 0.67546600 0.67546600 1.0