# generated using pymatgen data_Ce2Sb2Se5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99012044 _cell_length_b 11.88480222 _cell_length_c 15.85603023 _cell_angle_alpha 110.80236542 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2Sb2Se5 _chemical_formula_sum 'Ce8 Sb8 Se20' _cell_volume 1055.22676895 _cell_formula_units_Z 4 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 Ce Ce0 1 0.23552550 0.33648509 0.66299783 1.0 Ce Ce1 1 0.73552550 0.16351491 0.33700217 1.0 Ce Ce2 1 0.76447450 0.66351491 0.33700217 1.0 Ce Ce3 1 0.26447450 0.83648509 0.66299783 1.0 Ce Ce4 1 0.76673032 0.81192982 0.11094464 1.0 Ce Ce5 1 0.26673032 0.68807018 0.88905536 1.0 Ce Ce6 1 0.23326968 0.18807018 0.88905536 1.0 Ce Ce7 1 0.73326968 0.31192982 0.11094464 1.0 Sb Sb8 1 0.18488592 0.48000009 0.42816991 1.0 Sb Sb9 1 0.68488592 0.01999991 0.57183009 1.0 Sb Sb10 1 0.81511408 0.51999991 0.57183009 1.0 Sb Sb11 1 0.31511408 0.98000009 0.42816991 1.0 Sb Sb12 1 0.21074528 0.05642821 0.12106669 1.0 Sb Sb13 1 0.71074528 0.44357179 0.87893331 1.0 Sb Sb14 1 0.78925472 0.94357179 0.87893331 1.0 Sb Sb15 1 0.28925472 0.55642821 0.12106669 1.0 Se Se16 1 0.73581735 0.20557504 0.90474689 1.0 Se Se17 1 0.23581735 0.29442496 0.09525311 1.0 Se Se18 1 0.26418265 0.79442496 0.09525311 1.0 Se Se19 1 0.76418265 0.70557504 0.90474689 1.0 Se Se20 1 0.01054102 0.84081480 0.49713371 1.0 Se Se21 1 0.51054102 0.65918520 0.50286629 1.0 Se Se22 1 0.98945898 0.15918520 0.50286629 1.0 Se Se23 1 0.48945898 0.34081480 0.49713371 1.0 Se Se24 1 0.24658896 0.60273294 0.69751194 1.0 Se Se25 1 0.74658896 0.89726706 0.30248806 1.0 Se Se26 1 0.75341104 0.39726706 0.30248806 1.0 Se Se27 1 0.25341104 0.10273294 0.69751194 1.0 Se Se28 1 0.29264298 0.93625593 0.87795814 1.0 Se Se29 1 0.79264298 0.56374407 0.12204186 1.0 Se Se30 1 0.70735702 0.06374407 0.12204186 1.0 Se Se31 1 0.20735702 0.43625593 0.87795814 1.0 Se Se32 1 0.26602075 0.64548807 0.29661824 1.0 Se Se33 1 0.76602075 0.85451193 0.70338176 1.0 Se Se34 1 0.73397925 0.35451193 0.70338176 1.0 Se Se35 1 0.23397925 0.14548807 0.29661824 1.0