# generated using pymatgen data_CdFe4Cu10(SnSe4)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.79069513 _cell_length_b 10.79069513 _cell_length_c 10.79069513 _cell_angle_alpha 106.19053934 _cell_angle_beta 106.19053934 _cell_angle_gamma 116.25295351 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFe4Cu10(SnSe4)5 _chemical_formula_sum 'Cd1 Fe4 Cu10 Sn5 Se20' _cell_volume 956.94309519 _cell_formula_units_Z 1 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 0.00000000 0.00000000 0.00000000 1.0 Fe Fe1 1 0.20023100 0.39994400 0.59970400 1.0 Fe Fe2 1 0.39947300 0.79976900 0.19971300 1.0 Fe Fe3 1 0.60005600 0.19976000 0.80028700 1.0 Fe Fe4 1 0.80024000 0.60052700 0.40029600 1.0 Cu Cu5 1 0.85036300 0.94933700 0.30336900 1.0 Cu Cu6 1 0.25000000 0.75000000 0.50000000 1.0 Cu Cu7 1 0.64596800 0.54699300 0.69663100 1.0 Cu Cu8 1 0.05066300 0.35403200 0.90102500 1.0 Cu Cu9 1 0.45300700 0.14963700 0.09897500 1.0 Cu Cu10 1 0.75000000 0.25000000 0.50000000 1.0 Cu Cu11 1 0.15244400 0.04974000 0.69818400 1.0 Cu Cu12 1 0.54574000 0.84755600 0.89729600 1.0 Cu Cu13 1 0.95026000 0.64844400 0.10270400 1.0 Cu Cu14 1 0.35155600 0.45426000 0.30181600 1.0 Sn Sn15 1 0.69664600 0.89845400 0.59754100 1.0 Sn Sn16 1 0.10154600 0.69908800 0.79819300 1.0 Sn Sn17 1 0.50000000 0.50000000 0.00000000 1.0 Sn Sn18 1 0.90089500 0.30335400 0.20180700 1.0 Sn Sn19 1 0.30091200 0.09910500 0.40245900 1.0 Se Se20 1 0.59264000 0.28464800 0.61338900 1.0 Se Se21 1 0.79422700 0.68696200 0.21458600 1.0 Se Se22 1 0.99198500 0.09362000 0.79702500 1.0 Se Se23 1 0.19455300 0.48719600 0.41481500 1.0 Se Se24 1 0.39207200 0.88580000 0.01446500 1.0 Se Se25 1 0.29659500 0.19496000 0.20297500 1.0 Se Se26 1 0.47237600 0.57964100 0.78541400 1.0 Se Se27 1 0.67125800 0.97925000 0.38661100 1.0 Se Se28 1 0.87133500 0.37760700 0.98553500 1.0 Se Se29 1 0.07238000 0.77973800 0.58518500 1.0 Se Se30 1 0.31303800 0.52762400 0.10726500 1.0 Se Se31 1 0.51280400 0.92762000 0.70735700 1.0 Se Se32 1 0.71535200 0.32874200 0.30799200 1.0 Se Se33 1 0.90638000 0.70340500 0.89836500 1.0 Se Se34 1 0.11420000 0.12866500 0.50627200 1.0 Se Se35 1 0.42035900 0.20577300 0.89273500 1.0 Se Se36 1 0.62239300 0.60792800 0.49372800 1.0 Se Se37 1 0.80504000 0.00801500 0.10163500 1.0 Se Se38 1 0.02075000 0.40736000 0.69200800 1.0 Se Se39 1 0.22026200 0.80544700 0.29264300 1.0