# generated using pymatgen data_Ta2Mn4O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98868004 _cell_length_b 6.01917837 _cell_length_c 54.97147975 _cell_angle_alpha 51.38663759 _cell_angle_beta 51.61863319 _cell_angle_gamma 52.18267332 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Mn4O9 _chemical_formula_sum 'Ta12 Mn24 O54' _cell_volume 1128.35324634 _cell_formula_units_Z 6 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 Ta Ta0 1 0.03471500 0.02913300 0.00216600 1.0 Ta Ta1 1 0.02036600 0.02864500 0.11440800 1.0 Ta Ta2 1 0.22576300 0.23257400 0.13441000 1.0 Ta Ta3 1 0.22248600 0.21638800 0.24690800 1.0 Ta Ta4 1 0.21782100 0.24604700 0.35664700 1.0 Ta Ta5 1 0.22341000 0.20524500 0.47075500 1.0 Ta Ta6 1 0.51700300 0.53373700 0.39208400 1.0 Ta Ta7 1 0.22211000 0.21619200 0.58034200 1.0 Ta Ta8 1 0.21990500 0.24643000 0.69007500 1.0 Ta Ta9 1 0.22204800 0.20340100 0.80439300 1.0 Ta Ta10 1 0.51418100 0.53259200 0.72562200 1.0 Ta Ta11 1 0.22189100 0.20961600 0.91414400 1.0 Mn Mn12 1 0.24475800 0.23114000 0.02289100 1.0 Mn Mn13 1 0.56106200 0.53867200 0.04902600 1.0 Mn Mn14 1 0.02312000 0.00816500 0.22487900 1.0 Mn Mn15 1 0.74041000 0.73908500 0.07882900 1.0 Mn Mn16 1 0.50991000 0.50499200 0.16978000 1.0 Mn Mn17 1 0.01939000 0.03140500 0.33299400 1.0 Mn Mn18 1 0.71762900 0.70638800 0.19587600 1.0 Mn Mn19 1 0.53190400 0.51563800 0.27766400 1.0 Mn Mn20 1 0.01624200 0.99710500 0.44975200 1.0 Mn Mn21 1 0.74143900 0.72211200 0.30027500 1.0 Mn Mn22 1 0.02300200 0.01577500 0.55783800 1.0 Mn Mn23 1 0.72473400 0.73216300 0.41614200 1.0 Mn Mn24 1 0.50770600 0.50543500 0.50358800 1.0 Mn Mn25 1 0.02476400 0.03095900 0.66607200 1.0 Mn Mn26 1 0.71862900 0.71945900 0.52724900 1.0 Mn Mn27 1 0.53335700 0.51701000 0.60976800 1.0 Mn Mn28 1 0.01429500 0.99407000 0.78354700 1.0 Mn Mn29 1 0.74704700 0.71876800 0.63247800 1.0 Mn Mn30 1 0.01982000 0.01696300 0.89149700 1.0 Mn Mn31 1 0.72428600 0.73532600 0.74888300 1.0 Mn Mn32 1 0.51147400 0.50432300 0.83667400 1.0 Mn Mn33 1 0.71821300 0.71433800 0.86171800 1.0 Mn Mn34 1 0.50114000 0.52188700 0.94705900 1.0 Mn Mn35 1 0.72638800 0.74558500 0.96707200 1.0 O O36 1 0.13510400 0.39939100 0.09498400 1.0 O O37 1 0.40076000 0.85548000 0.01180000 1.0 O O38 1 0.83744300 0.12395800 0.04542200 1.0 O O39 1 0.26355400 0.63746000 0.10869900 1.0 O O40 1 0.66805300 0.90796200 0.03408300 1.0 O O41 1 0.10903700 0.40841200 0.20645300 1.0 O O42 1 0.93547200 0.28593300 0.07587700 1.0 O O43 1 0.40214000 0.84702500 0.12537600 1.0 O O44 1 0.84786500 0.11874700 0.15469700 1.0 O O45 1 0.34207100 0.57890600 0.21539300 1.0 O O46 1 0.61296100 0.98420100 0.14187800 1.0 O O47 1 0.13338700 0.39657400 0.31832100 1.0 O O48 1 0.96422500 0.30869300 0.17435700 1.0 O O49 1 0.41623200 0.85018800 0.23556900 1.0 O O50 1 0.85188900 0.10205900 0.27129100 1.0 O O51 1 0.33732100 0.58290600 0.33049300 1.0 O O52 1 0.57536400 0.95835900 0.25945000 1.0 O O53 1 0.15774500 0.43046300 0.42175000 1.0 O O54 1 0.96242600 0.33742000 0.28626900 1.0 O O55 1 0.38646600 0.82411500 0.35447600 1.0 O O56 1 0.79386100 0.18051800 0.37993800 1.0 O O57 1 0.35509400 0.57514100 0.43558900 1.0 O O58 1 0.57471500 0.94341500 0.37176600 1.0 O O59 1 0.10342500 0.41915000 0.53993300 1.0 O O60 1 0.93165700 0.36019100 0.39631800 1.0 O O61 1 0.41395200 0.84781000 0.45702500 1.0 O O62 1 0.85524700 0.13226300 0.48770300 1.0 O O63 1 0.33851200 0.57414900 0.55040200 1.0 O O64 1 0.58377100 0.95093500 0.48050500 1.0 O O65 1 0.13933700 0.39656600 0.65145100 1.0 O O66 1 0.97795100 0.32659800 0.50704100 1.0 O O67 1 0.41917500 0.85908400 0.56756400 1.0 O O68 1 0.85302500 0.09989100 0.60449400 1.0 O O69 1 0.33912900 0.58152700 0.66449600 1.0 O O70 1 0.57665400 0.95235900 0.59297400 1.0 O O71 1 0.15512700 0.43056800 0.75527400 1.0 O O72 1 0.95979900 0.33164900 0.62030100 1.0 O O73 1 0.38471100 0.82443300 0.68814800 1.0 O O74 1 0.79393500 0.18306000 0.71300000 1.0 O O75 1 0.35408200 0.57276100 0.76920300 1.0 O O76 1 0.57469100 0.94201400 0.70538300 1.0 O O77 1 0.11515600 0.41826000 0.87221400 1.0 O O78 1 0.92993100 0.36152700 0.72961700 1.0 O O79 1 0.41737000 0.84963900 0.78988500 1.0 O O80 1 0.85655800 0.12743400 0.82126200 1.0 O O81 1 0.32583800 0.57017100 0.88637400 1.0 O O82 1 0.57780300 0.94758500 0.81495100 1.0 O O83 1 0.10242100 0.41574100 0.98197800 1.0 O O84 1 0.97136300 0.32869800 0.84055400 1.0 O O85 1 0.41573800 0.86039600 0.90153700 1.0 O O86 1 0.84138000 0.13510000 0.93580700 1.0 O O87 1 0.28788200 0.65705400 0.99380900 1.0 O O88 1 0.58837100 0.94501400 0.92565300 1.0 O O89 1 0.96750700 0.27138500 0.95960700 1.0