# generated using pymatgen data_CeSb(SBr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42218400 _cell_length_b 8.86908700 _cell_length_c 18.02139741 _cell_angle_alpha 75.79221391 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeSb(SBr)2 _chemical_formula_sum 'Ce8 Sb8 S16 Br16' _cell_volume 1459.91427039 _cell_formula_units_Z 8 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 0.86794500 0.12226300 0.75653900 1.0 Ce Ce1 1 0.86315400 0.61314500 0.76327300 1.0 Ce Ce2 1 0.36315400 0.38685500 0.73672700 1.0 Ce Ce3 1 0.36794500 0.87773700 0.74346100 1.0 Ce Ce4 1 0.63205500 0.12226300 0.25653900 1.0 Ce Ce5 1 0.13205500 0.87773700 0.24346100 1.0 Ce Ce6 1 0.13684600 0.38685500 0.23672700 1.0 Ce Ce7 1 0.63684600 0.61314500 0.26327300 1.0 Sb Sb8 1 0.54134000 0.72870400 0.54999700 1.0 Sb Sb9 1 0.33986400 0.72407500 0.05806300 1.0 Sb Sb10 1 0.83986400 0.27592500 0.44193700 1.0 Sb Sb11 1 0.16013600 0.72407500 0.55806300 1.0 Sb Sb12 1 0.45866000 0.27129600 0.45000300 1.0 Sb Sb13 1 0.95866000 0.72870400 0.04999700 1.0 Sb Sb14 1 0.04134000 0.27129600 0.95000300 1.0 Sb Sb15 1 0.66013600 0.27592500 0.94193700 1.0 S S16 1 0.93930800 0.66215400 0.19053700 1.0 S S17 1 0.15085200 0.51958300 0.05614900 1.0 S S18 1 0.43930800 0.33784600 0.30946300 1.0 S S19 1 0.15030200 0.92983400 0.05393100 1.0 S S20 1 0.34969800 0.92983400 0.55393100 1.0 S S21 1 0.84914800 0.48041700 0.94385100 1.0 S S22 1 0.33543800 0.65979600 0.19794200 1.0 S S23 1 0.16456200 0.65979600 0.69794200 1.0 S S24 1 0.66456200 0.34020400 0.80205800 1.0 S S25 1 0.34914800 0.51958300 0.55614900 1.0 S S26 1 0.56069200 0.66215400 0.69053700 1.0 S S27 1 0.65030200 0.07016600 0.44606900 1.0 S S28 1 0.65085200 0.48041700 0.44385100 1.0 S S29 1 0.84969800 0.07016600 0.94606900 1.0 S S30 1 0.06069200 0.33784600 0.80946300 1.0 S S31 1 0.83543800 0.34020400 0.30205800 1.0 Br Br32 1 0.55411700 0.16187700 0.66226500 1.0 Br Br33 1 0.12829100 0.55696300 0.36817800 1.0 Br Br34 1 0.37170900 0.55696300 0.86817800 1.0 Br Br35 1 0.82594300 0.84323900 0.33083900 1.0 Br Br36 1 0.63019500 0.91998800 0.13690200 1.0 Br Br37 1 0.36980500 0.08001200 0.86309800 1.0 Br Br38 1 0.87170900 0.44303700 0.63182200 1.0 Br Br39 1 0.17405700 0.15676100 0.66916100 1.0 Br Br40 1 0.94588300 0.16187700 0.16226500 1.0 Br Br41 1 0.44588300 0.83812300 0.33773500 1.0 Br Br42 1 0.62829100 0.44303700 0.13182200 1.0 Br Br43 1 0.13019500 0.08001200 0.36309800 1.0 Br Br44 1 0.32594300 0.15676100 0.16916100 1.0 Br Br45 1 0.67405700 0.84323900 0.83083900 1.0 Br Br46 1 0.86980500 0.91998800 0.63690200 1.0 Br Br47 1 0.05411700 0.83812300 0.83773500 1.0