# generated using pymatgen data_Nd12Si5Se28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.61511726 _cell_length_b 10.61511726 _cell_length_c 24.38082300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999540 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12Si5Se28 _chemical_formula_sum 'Nd24 Si10 Se56' _cell_volume 2379.18714976 _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 0.79233400 0.10775900 0.42869600 1.0 Nd Nd1 1 0.79897100 0.11555900 0.18902300 1.0 Nd Nd2 1 0.79246200 0.09609300 0.67183000 1.0 Nd Nd3 1 0.79893200 0.10598500 0.92733500 1.0 Nd Nd4 1 0.88444100 0.68341200 0.18902300 1.0 Nd Nd5 1 0.89224100 0.68457500 0.42869600 1.0 Nd Nd6 1 0.90390700 0.69636900 0.67183000 1.0 Nd Nd7 1 0.89401500 0.69294700 0.92733500 1.0 Nd Nd8 1 0.31658800 0.20102900 0.18902300 1.0 Nd Nd9 1 0.31542500 0.20766600 0.42869600 1.0 Nd Nd10 1 0.30363100 0.20753800 0.67183000 1.0 Nd Nd11 1 0.30705300 0.20106800 0.92733500 1.0 Nd Nd12 1 0.03501100 0.47122100 0.06129600 1.0 Nd Nd13 1 0.01945800 0.46366800 0.30791200 1.0 Nd Nd14 1 0.01092200 0.45320600 0.54496300 1.0 Nd Nd15 1 0.02735500 0.46504300 0.80346000 1.0 Nd Nd16 1 0.43621000 0.96498900 0.06129600 1.0 Nd Nd17 1 0.44421000 0.98054200 0.30791200 1.0 Nd Nd18 1 0.44228300 0.98907800 0.54496300 1.0 Nd Nd19 1 0.43768800 0.97264500 0.80346000 1.0 Nd Nd20 1 0.52877900 0.56379000 0.06129600 1.0 Nd Nd21 1 0.53633200 0.55579000 0.30791200 1.0 Nd Nd22 1 0.54679400 0.55771700 0.54496300 1.0 Nd Nd23 1 0.53495700 0.56231200 0.80346000 1.0 Si Si24 1 0.00000000 0.00000000 0.07625800 1.0 Si Si25 1 0.00000000 0.00000000 0.32717100 1.0 Si Si26 1 0.00000000 0.00000000 0.57283200 1.0 Si Si27 1 0.00000000 0.00000000 0.82178900 1.0 Si Si28 1 0.33333300 0.66666700 0.20531100 1.0 Si Si29 1 0.33333300 0.66666700 0.45019300 1.0 Si Si30 1 0.33333300 0.66666700 0.69806200 1.0 Si Si31 1 0.33333300 0.66666700 0.95277400 1.0 Si Si32 1 0.66666700 0.33333300 0.73430000 1.0 Si Si33 1 0.66666700 0.33333300 0.98598800 1.0 Se Se34 1 0.75339100 0.19401700 0.03764800 1.0 Se Se35 1 0.76116100 0.17220800 0.30086400 1.0 Se Se36 1 0.75348000 0.18505800 0.79282900 1.0 Se Se37 1 0.75583300 0.16330600 0.55210600 1.0 Se Se38 1 0.77211600 0.85512300 0.36432500 1.0 Se Se39 1 0.77161700 0.85955800 0.11255400 1.0 Se Se40 1 0.77123700 0.84823000 0.61112100 1.0 Se Se41 1 0.77211800 0.85467600 0.85987700 1.0 Se Se42 1 0.08794100 0.22838300 0.11255400 1.0 Se Se43 1 0.08300700 0.22788400 0.36432500 1.0 Se Se44 1 0.08255800 0.22788200 0.85987700 1.0 Se Se45 1 0.07699300 0.22876300 0.61112100 1.0 Se Se46 1 0.00000000 0.00000000 0.23364500 1.0 Se Se47 1 0.00000000 0.00000000 0.48111100 1.0 Se Se48 1 0.00000000 0.00000000 0.72988300 1.0 Se Se49 1 0.00000000 0.00000000 0.98204200 1.0 Se Se50 1 0.80598300 0.55937400 0.03764800 1.0 Se Se51 1 0.82779200 0.58895300 0.30086400 1.0 Se Se52 1 0.83669400 0.59252700 0.55210600 1.0 Se Se53 1 0.81494200 0.56842100 0.79282900 1.0 Se Se54 1 0.14487700 0.91699300 0.36432500 1.0 Se Se55 1 0.14044200 0.91205900 0.11255400 1.0 Se Se56 1 0.14532400 0.91744200 0.85987700 1.0 Se Se57 1 0.15177000 0.92300700 0.61112100 1.0 Se Se58 1 0.92468900 0.43120600 0.17145500 1.0 Se Se59 1 0.92224600 0.42443400 0.42583600 1.0 Se Se60 1 0.89827600 0.41313000 0.68344900 1.0 Se Se61 1 0.91069900 0.42230700 0.92545800 1.0 Se Se62 1 0.44062600 0.24660900 0.03764800 1.0 Se Se63 1 0.41104700 0.23883900 0.30086400 1.0 Se Se64 1 0.40747300 0.24416700 0.55210600 1.0 Se Se65 1 0.43157900 0.24652000 0.79282900 1.0 Se Se66 1 0.18948700 0.75211600 0.24037900 1.0 Se Se67 1 0.18735300 0.74834000 0.48781800 1.0 Se Se68 1 0.18814400 0.74904500 0.73711100 1.0 Se Se69 1 0.18740100 0.75030300 0.98866000 1.0 Se Se70 1 0.50651700 0.07531100 0.17145500 1.0 Se Se71 1 0.50218800 0.07775400 0.42583600 1.0 Se Se72 1 0.51485400 0.10172400 0.68344900 1.0 Se Se73 1 0.51160800 0.08930100 0.92545800 1.0 Se Se74 1 0.33333300 0.66666700 0.11080600 1.0 Se Se75 1 0.33333300 0.66666700 0.35772400 1.0 Se Se76 1 0.33333300 0.66666700 0.85943900 1.0 Se Se77 1 0.33333300 0.66666700 0.60670400 1.0 Se Se78 1 0.25166000 0.43901300 0.48781800 1.0 Se Se79 1 0.25095500 0.43909800 0.73711100 1.0 Se Se80 1 0.24788400 0.43737100 0.24037900 1.0 Se Se81 1 0.24969700 0.43709800 0.98866000 1.0 Se Se82 1 0.56262900 0.81051300 0.24037900 1.0 Se Se83 1 0.56098700 0.81264700 0.48781800 1.0 Se Se84 1 0.56090200 0.81185600 0.73711100 1.0 Se Se85 1 0.56290200 0.81259900 0.98866000 1.0 Se Se86 1 0.56879400 0.49348300 0.17145500 1.0 Se Se87 1 0.57769300 0.48839200 0.92545800 1.0 Se Se88 1 0.57556600 0.49781200 0.42583600 1.0 Se Se89 1 0.58687000 0.48514600 0.68344900 1.0