# generated using pymatgen data_Mn21Sn9O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.98028706 _cell_length_b 10.98028706 _cell_length_c 10.98028706 _cell_angle_alpha 99.61014744 _cell_angle_beta 99.61014744 _cell_angle_gamma 131.76778842 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn21Sn9O40 _chemical_formula_sum 'Mn21 Sn9 O40' _cell_volume 901.21869311 _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 Mn Mn0 1 0.37276700 0.62626700 0.74782700 1.0 Mn Mn1 1 0.57189600 0.72552800 0.54851100 1.0 Mn Mn2 1 0.67009000 0.02057900 0.45027600 1.0 Mn Mn3 1 0.47486500 0.42459800 0.64985600 1.0 Mn Mn4 1 0.37373300 0.12156000 0.74650000 1.0 Mn Mn5 1 0.37506000 0.62723300 0.25350000 1.0 Mn Mn6 1 0.77474200 0.82500900 0.35014400 1.0 Mn Mn7 1 0.97942100 0.42969700 0.64951000 1.0 Mn Mn8 1 0.17701700 0.02338500 0.45148900 1.0 Mn Mn9 1 0.57030300 0.21981300 0.54972400 1.0 Mn Mn10 1 0.25000000 0.75000000 0.50000000 1.0 Mn Mn11 1 0.78018700 0.32991000 0.35049000 1.0 Mn Mn12 1 0.17499100 0.52513500 0.94973300 1.0 Mn Mn13 1 0.97497500 0.92515800 0.15037300 1.0 Mn Mn14 1 0.07484200 0.22521500 0.04981600 1.0 Mn Mn15 1 0.87844000 0.62494000 0.25217300 1.0 Mn Mn16 1 0.77478500 0.82460100 0.84962700 1.0 Mn Mn17 1 0.17539900 0.02502500 0.95018400 1.0 Mn Mn18 1 0.57540200 0.22525800 0.05026700 1.0 Mn Mn19 1 0.97661500 0.42810400 0.15363200 1.0 Mn Mn20 1 0.27447200 0.82298300 0.84636800 1.0 Sn Sn21 1 0.05010600 0.15001500 0.70011200 1.0 Sn Sn22 1 0.69937100 0.10002500 0.79911700 1.0 Sn Sn23 1 0.09974700 0.30062900 0.40065400 1.0 Sn Sn24 1 0.89997500 0.69909300 0.59934600 1.0 Sn Sn25 1 0.44990300 0.34999400 0.29988800 1.0 Sn Sn26 1 0.65000600 0.94989400 0.09990900 1.0 Sn Sn27 1 0.50000000 0.50000000 0.00000000 1.0 Sn Sn28 1 0.30090700 0.90025300 0.20088300 1.0 Sn Sn29 1 0.84998500 0.55009700 0.90009100 1.0 O O30 1 0.12713700 0.38237900 0.75275500 1.0 O O31 1 0.62340200 0.86778400 0.74886500 1.0 O O32 1 0.91451300 0.26928200 0.45175900 1.0 O O33 1 0.13221600 0.88108100 0.75561900 1.0 O O34 1 0.71839600 0.67553200 0.64978500 1.0 O O35 1 0.33301000 0.48082200 0.55549800 1.0 O O36 1 0.81781800 0.96962400 0.54513600 1.0 O O37 1 0.23076800 0.17606900 0.64847900 1.0 O O38 1 0.44057400 0.77888700 0.44616700 1.0 O O39 1 0.61762100 0.37037600 0.74475800 1.0 O O40 1 0.42448800 0.27268200 0.45486400 1.0 O O41 1 0.52759000 0.58228900 0.35152100 1.0 O O42 1 0.62561800 0.87286300 0.25524200 1.0 O O43 1 0.33272000 0.99440700 0.55383300 1.0 O O44 1 0.22111300 0.66728000 0.66168700 1.0 O O45 1 0.12546200 0.37659800 0.24438100 1.0 O O46 1 0.02574700 0.06861100 0.35021500 1.0 O O47 1 0.92532300 0.77751100 0.44450200 1.0 O O48 1 0.81752300 0.46275400 0.54824100 1.0 O O49 1 0.73071800 0.18247700 0.64523100 1.0 O O50 1 0.93138900 0.28160400 0.95713600 1.0 O O51 1 0.11891900 0.87453800 0.25113500 1.0 O O52 1 0.73384300 0.67909100 0.15563000 1.0 O O53 1 0.53724600 0.08548700 0.35476900 1.0 O O54 1 0.32090900 0.47653900 0.05475100 1.0 O O55 1 0.41771100 0.76923200 0.94530100 1.0 O O56 1 0.83154900 0.97546700 0.04886700 1.0 O O57 1 0.62962400 0.37438200 0.24724500 1.0 O O58 1 0.21731700 0.16845100 0.14391800 1.0 O O59 1 0.00559300 0.55942600 0.33831300 1.0 O O60 1 0.02453300 0.07340000 0.85608200 1.0 O O61 1 0.72731800 0.18218200 0.15180600 1.0 O O62 1 0.92660000 0.78268300 0.95113300 1.0 O O63 1 0.82393100 0.47241000 0.05469900 1.0 O O64 1 0.42178700 0.26615700 0.94524900 1.0 O O65 1 0.22248900 0.66699000 0.14781200 1.0 O O66 1 0.52346100 0.57821300 0.84437000 1.0 O O67 1 0.32446800 0.97425300 0.04286400 1.0 O O68 1 0.51917800 0.07467700 0.85218800 1.0 O O69 1 0.03037600 0.57551200 0.84819400 1.0