# generated using pymatgen data_MnAlP2(HO)15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00475100 _cell_length_b 9.58281328 _cell_length_c 10.14644148 _cell_angle_alpha 99.28750126 _cell_angle_beta 109.02255741 _cell_angle_gamma 98.31778580 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlP2(HO)15 _chemical_formula_sum 'Mn2 Al2 P4 H30 O30' _cell_volume 621.08179375 _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 Mn Mn0 1 0.32253100 0.70097300 0.04907600 1.0 Mn Mn1 1 0.67746900 0.29902700 0.95092400 1.0 Al Al2 1 0.50000000 0.50000000 0.50000000 1.0 Al Al3 1 0.00000000 0.50000000 0.50000000 1.0 P P4 1 0.73776600 0.70855100 0.35441100 1.0 P P5 1 0.26223400 0.29144900 0.64558900 1.0 P P6 1 0.90053400 0.70362100 0.74868700 1.0 P P7 1 0.09946600 0.29637900 0.25131300 1.0 H H8 1 0.90320800 0.88047800 0.54266000 1.0 H H9 1 0.09679200 0.11952200 0.45734000 1.0 H H10 1 0.68658600 0.31618000 0.44371700 1.0 H H11 1 0.31341400 0.68382000 0.55628300 1.0 H H12 1 0.98714400 0.94474100 0.80096000 1.0 H H13 1 0.01285600 0.05525900 0.19904000 1.0 H H14 1 0.21154800 0.57823400 0.24532400 1.0 H H15 1 0.78845200 0.42176600 0.75467600 1.0 H H16 1 0.26816200 0.73954000 0.30606200 1.0 H H17 1 0.73183800 0.26046000 0.69393800 1.0 H H18 1 0.26901400 0.40470200 0.91670300 1.0 H H19 1 0.73098600 0.59529800 0.08329700 1.0 H H20 1 0.15120000 0.40125600 0.02715600 1.0 H H21 1 0.84880000 0.59874400 0.97284400 1.0 H H22 1 0.50597400 0.63752500 0.84408500 1.0 H H23 1 0.49402600 0.36247500 0.15591500 1.0 H H24 1 0.28753800 0.67829800 0.77717600 1.0 H H25 1 0.71246200 0.32170200 0.22282400 1.0 H H26 1 0.45724900 0.00029200 0.21511500 1.0 H H27 1 0.54275100 0.99970800 0.78488500 1.0 H H28 1 0.33143000 0.99777800 0.05146900 1.0 H H29 1 0.66857000 0.00222200 0.94853100 1.0 H H30 1 0.76230200 0.85929900 0.13045800 1.0 H H31 1 0.23769800 0.14070100 0.86954200 1.0 H H32 1 0.89124400 0.85559100 0.02803600 1.0 H H33 1 0.10875600 0.14440900 0.97196500 1.0 H H34 1 0.48350400 0.13191100 0.44634900 1.0 H H35 1 0.51649600 0.86808900 0.55365100 1.0 H H36 1 0.68148600 0.06232600 0.45914700 1.0 H H37 1 0.31851400 0.93767400 0.54085300 1.0 O O38 1 0.64288700 0.71911700 0.19773600 1.0 O O39 1 0.35711300 0.28088300 0.80226400 1.0 O O40 1 0.90090000 0.61700600 0.37159800 1.0 O O41 1 0.09910000 0.38299400 0.62840200 1.0 O O42 1 0.57792200 0.66294600 0.42222300 1.0 O O43 1 0.42207800 0.33705400 0.57777700 1.0 O O44 1 0.68310000 0.60624500 0.69178300 1.0 O O45 1 0.31690000 0.39375500 0.30821700 1.0 O O46 1 0.03393200 0.65277600 0.66303200 1.0 O O47 1 0.96606800 0.34722400 0.33696800 1.0 O O48 1 0.00465100 0.71512000 0.91066100 1.0 O O49 1 0.99534900 0.28488000 0.08933900 1.0 O O50 1 0.85004200 0.87428400 0.43852000 1.0 O O51 1 0.14995800 0.12571600 0.56148000 1.0 O O52 1 0.72245400 0.42139600 0.47930800 1.0 O O53 1 0.27754600 0.57860400 0.52069200 1.0 O O54 1 0.87710800 0.86343000 0.72545000 1.0 O O55 1 0.12289200 0.13657000 0.27455000 1.0 O O56 1 0.19359400 0.67001300 0.21572700 1.0 O O57 1 0.80640600 0.32998700 0.78427300 1.0 O O58 1 0.26031600 0.46085400 0.00481100 1.0 O O59 1 0.73968400 0.53914600 0.99518900 1.0 O O60 1 0.41432200 0.69944500 0.86439700 1.0 O O61 1 0.58567800 0.30055500 0.13560300 1.0 O O62 1 0.38918500 0.93718400 0.11843500 1.0 O O63 1 0.61081500 0.06281600 0.88156500 1.0 O O64 1 0.83495900 0.92182200 0.08360700 1.0 O O65 1 0.16504100 0.07817800 0.91639300 1.0 O O66 1 0.57953100 0.10716100 0.39884200 1.0 O O67 1 0.42046900 0.89283900 0.60115800 1.0