# generated using pymatgen data_MnHO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23546600 _cell_length_b 10.62273469 _cell_length_c 10.70120951 _cell_angle_alpha 89.83846720 _cell_angle_beta 89.60871637 _cell_angle_gamma 89.84337772 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnHO2 _chemical_formula_sum 'Mn16 H16 O32' _cell_volume 708.80155844 _cell_formula_units_Z 16 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 0.50191500 0.35728800 0.85745000 1.0 Mn Mn1 1 0.99811200 0.35535800 0.85694000 1.0 Mn Mn2 1 0.50535800 0.85393100 0.64232400 1.0 Mn Mn3 1 0.00850600 0.85399700 0.64297200 1.0 Mn Mn4 1 0.99479800 0.14390900 0.36331600 1.0 Mn Mn5 1 0.49869300 0.14085100 0.35701500 1.0 Mn Mn6 1 0.00167500 0.64078300 0.14194300 1.0 Mn Mn7 1 0.49647100 0.64035500 0.14232600 1.0 Mn Mn8 1 0.74538600 0.84752700 0.34325100 1.0 Mn Mn9 1 0.25083000 0.84830700 0.34256400 1.0 Mn Mn10 1 0.75100400 0.34055300 0.14863100 1.0 Mn Mn11 1 0.25082700 0.33455400 0.14986900 1.0 Mn Mn12 1 0.75497900 0.66100100 0.84914700 1.0 Mn Mn13 1 0.25347900 0.65318400 0.84790200 1.0 Mn Mn14 1 0.75396400 0.15110700 0.66152300 1.0 Mn Mn15 1 0.25476900 0.15114200 0.65669000 1.0 H H16 1 0.71503000 0.34371700 0.39825200 1.0 H H17 1 0.27004200 0.34672900 0.39869800 1.0 H H18 1 0.52026900 0.83741100 0.92834400 1.0 H H19 1 0.00010700 0.85717800 0.90554400 1.0 H H20 1 0.00925400 0.16082900 0.07175900 1.0 H H21 1 0.46673300 0.15539500 0.06068000 1.0 H H22 1 0.46867600 0.93099000 0.16273200 1.0 H H23 1 0.99624400 0.93917100 0.17797900 1.0 H H24 1 0.97322200 0.08833700 0.86273400 1.0 H H25 1 0.51864300 0.06605600 0.83562200 1.0 H H26 1 0.25764200 0.66528300 0.58001400 1.0 H H27 1 0.77239300 0.64704000 0.59748100 1.0 H H28 1 0.23568300 0.41900200 0.66951500 1.0 H H29 1 0.75746900 0.40341400 0.65275100 1.0 H H30 1 0.21993100 0.59825000 0.34950200 1.0 H H31 1 0.75953000 0.59118000 0.34111200 1.0 O O32 1 0.75724900 0.66630600 0.02807500 1.0 O O33 1 0.24371000 0.65829100 0.02772400 1.0 O O34 1 0.73532500 0.02829900 0.34054000 1.0 O O35 1 0.25501800 0.02725700 0.34725600 1.0 O O36 1 0.75355500 0.97073500 0.65671100 1.0 O O37 1 0.25345000 0.96772100 0.65673900 1.0 O O38 1 0.75708500 0.34038700 0.97010200 1.0 O O39 1 0.24387800 0.33617000 0.97219100 1.0 O O40 1 0.99208700 0.17500200 0.55277400 1.0 O O41 1 0.52767000 0.17657700 0.54731800 1.0 O O42 1 0.98667300 0.54685700 0.82890300 1.0 O O43 1 0.52185200 0.54708300 0.83307800 1.0 O O44 1 0.48777500 0.44654900 0.16517200 1.0 O O45 1 0.02533100 0.45000300 0.18009000 1.0 O O46 1 0.49487600 0.82284700 0.44917800 1.0 O O47 1 0.02106000 0.82647600 0.46057000 1.0 O O48 1 0.47126400 0.84792900 0.20134400 1.0 O O49 1 0.99773000 0.85609400 0.21643000 1.0 O O50 1 0.00451300 0.20301700 0.15217300 1.0 O O51 1 0.47524200 0.19463900 0.14252200 1.0 O O52 1 0.98762600 0.15483200 0.80118300 1.0 O O53 1 0.51297100 0.14795600 0.79465500 1.0 O O54 1 0.51838300 0.79537700 0.84785200 1.0 O O55 1 0.00082000 0.79854900 0.83636700 1.0 O O56 1 0.75321900 0.33801200 0.71604400 1.0 O O57 1 0.24465800 0.34536700 0.72325900 1.0 O O58 1 0.75940300 0.71441000 0.65816600 1.0 O O59 1 0.26138300 0.71121300 0.65866100 1.0 O O60 1 0.75425800 0.65831200 0.27946700 1.0 O O61 1 0.24245900 0.66327600 0.28689700 1.0 O O62 1 0.73615000 0.28261500 0.33205000 1.0 O O63 1 0.26179000 0.27779100 0.33973700 1.0