# generated using pymatgen data_Cs5V5FeCl6O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.19966400 _cell_length_b 11.19966400 _cell_length_c 11.06636200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs5V5FeCl6O13 _chemical_formula_sum 'Cs10 V10 Fe2 Cl12 O26' _cell_volume 1388.08116066 _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 Cs Cs0 1 0.50000000 0.00000000 0.64970000 1.0 Cs Cs1 1 0.00000000 0.50000000 0.35030000 1.0 Cs Cs2 1 0.76465400 0.73534600 0.71704700 1.0 Cs Cs3 1 0.76465400 0.26465400 0.71704700 1.0 Cs Cs4 1 0.23534600 0.73534600 0.71704700 1.0 Cs Cs5 1 0.23534600 0.26465400 0.71704700 1.0 Cs Cs6 1 0.73534600 0.76465400 0.28295300 1.0 Cs Cs7 1 0.73534600 0.23534600 0.28295300 1.0 Cs Cs8 1 0.26465400 0.76465400 0.28295300 1.0 Cs Cs9 1 0.26465400 0.23534600 0.28295300 1.0 V V10 1 0.00000000 0.50000000 0.85216700 1.0 V V11 1 0.50000000 0.00000000 0.14783300 1.0 V V12 1 0.77629100 0.00000000 0.98924300 1.0 V V13 1 0.22370900 0.00000000 0.98924300 1.0 V V14 1 0.50000000 0.27629100 0.98924300 1.0 V V15 1 0.50000000 0.72370900 0.98924300 1.0 V V16 1 0.72370900 0.50000000 0.01075700 1.0 V V17 1 0.27629100 0.50000000 0.01075700 1.0 V V18 1 0.00000000 0.22370900 0.01075700 1.0 V V19 1 0.00000000 0.77629100 0.01075700 1.0 Fe Fe20 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe21 1 0.00000000 0.00000000 0.50000000 1.0 Cl Cl22 1 0.71987300 0.50000000 0.49570800 1.0 Cl Cl23 1 0.28012700 0.50000000 0.49570800 1.0 Cl Cl24 1 0.00000000 0.21987300 0.49570800 1.0 Cl Cl25 1 0.00000000 0.78012700 0.49570800 1.0 Cl Cl26 1 0.78012700 0.00000000 0.50429200 1.0 Cl Cl27 1 0.21987300 0.00000000 0.50429200 1.0 Cl Cl28 1 0.50000000 0.28012700 0.50429200 1.0 Cl Cl29 1 0.50000000 0.71987300 0.50429200 1.0 Cl Cl30 1 0.50000000 0.50000000 0.71511800 1.0 Cl Cl31 1 0.00000000 0.00000000 0.71511800 1.0 Cl Cl32 1 0.00000000 0.00000000 0.28488200 1.0 Cl Cl33 1 0.50000000 0.50000000 0.28488200 1.0 O O34 1 0.00000000 0.50000000 0.70480300 1.0 O O35 1 0.50000000 0.00000000 0.29519700 1.0 O O36 1 0.70632000 0.00000000 0.85912700 1.0 O O37 1 0.29368000 0.00000000 0.85912700 1.0 O O38 1 0.50000000 0.20632000 0.85912700 1.0 O O39 1 0.50000000 0.79368000 0.85912700 1.0 O O40 1 0.79368000 0.50000000 0.14087300 1.0 O O41 1 0.20632000 0.50000000 0.14087300 1.0 O O42 1 0.00000000 0.29368000 0.14087300 1.0 O O43 1 0.00000000 0.70632000 0.14087300 1.0 O O44 1 0.67312900 0.00000000 0.10607800 1.0 O O45 1 0.32687100 0.00000000 0.10607800 1.0 O O46 1 0.50000000 0.17312900 0.10607800 1.0 O O47 1 0.50000000 0.82687100 0.10607800 1.0 O O48 1 0.82687100 0.50000000 0.89392200 1.0 O O49 1 0.17312900 0.50000000 0.89392200 1.0 O O50 1 0.00000000 0.32687100 0.89392200 1.0 O O51 1 0.00000000 0.67312900 0.89392200 1.0 O O52 1 0.86607300 0.86607300 0.00000000 1.0 O O53 1 0.86607300 0.13392700 0.00000000 1.0 O O54 1 0.13392700 0.86607300 0.00000000 1.0 O O55 1 0.13392700 0.13392700 0.00000000 1.0 O O56 1 0.36607300 0.36607300 0.00000000 1.0 O O57 1 0.36607300 0.63392700 0.00000000 1.0 O O58 1 0.63392700 0.36607300 0.00000000 1.0 O O59 1 0.63392700 0.63392700 0.00000000 1.0