# generated using pymatgen data_Mn7(PO8)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.24367425 _cell_length_b 5.24175500 _cell_length_c 10.32657367 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.27171847 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7(PO8)2 _chemical_formula_sum 'Mn14 P4 O32' _cell_volume 608.60615042 _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 0.00000000 0.50000000 0.00000000 1.0 Mn Mn1 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn2 1 0.04437600 0.96699400 0.85734900 1.0 Mn Mn3 1 0.95562400 0.46699400 0.64265100 1.0 Mn Mn4 1 0.95562400 0.03300600 0.14265100 1.0 Mn Mn5 1 0.04437600 0.53300600 0.35734900 1.0 Mn Mn6 1 0.22025400 0.95522700 0.62623400 1.0 Mn Mn7 1 0.77974600 0.45522700 0.87376600 1.0 Mn Mn8 1 0.77974600 0.04477300 0.37376600 1.0 Mn Mn9 1 0.22025400 0.54477300 0.12623400 1.0 Mn Mn10 1 0.44363500 0.53302800 0.66631200 1.0 Mn Mn11 1 0.55636500 0.03302800 0.83368800 1.0 Mn Mn12 1 0.55636500 0.46697200 0.33368800 1.0 Mn Mn13 1 0.44363500 0.96697200 0.16631200 1.0 P P14 1 0.29308800 0.20772600 0.86469700 1.0 P P15 1 0.70691200 0.70772600 0.63530300 1.0 P P16 1 0.70691200 0.79227400 0.13530300 1.0 P P17 1 0.29308800 0.29227400 0.36469700 1.0 O O18 1 0.30237700 0.35481300 0.73327000 1.0 O O19 1 0.69762300 0.85481300 0.76673000 1.0 O O20 1 0.69762300 0.64518700 0.26673000 1.0 O O21 1 0.30237700 0.14518700 0.23327000 1.0 O O22 1 0.20363700 0.33818400 0.95788400 1.0 O O23 1 0.79636300 0.83818400 0.54211600 1.0 O O24 1 0.79636300 0.66181600 0.04211600 1.0 O O25 1 0.20363700 0.16181600 0.45788400 1.0 O O26 1 0.41424200 0.16248000 0.93088500 1.0 O O27 1 0.58575800 0.66248000 0.56911500 1.0 O O28 1 0.58575800 0.83752000 0.06911500 1.0 O O29 1 0.41424200 0.33752000 0.43088500 1.0 O O30 1 0.23015500 0.94869000 0.82084800 1.0 O O31 1 0.76984500 0.44869000 0.67915200 1.0 O O32 1 0.76984500 0.05131000 0.17915200 1.0 O O33 1 0.23015500 0.55131000 0.32084800 1.0 O O34 1 0.34809600 0.76835600 0.57959100 1.0 O O35 1 0.65190400 0.26835600 0.92040900 1.0 O O36 1 0.65190400 0.23164400 0.42040900 1.0 O O37 1 0.34809600 0.73164400 0.07959100 1.0 O O38 1 0.52540000 0.22190800 0.69113300 1.0 O O39 1 0.47460000 0.72190800 0.80886700 1.0 O O40 1 0.47460000 0.77809200 0.30886700 1.0 O O41 1 0.52540000 0.27809200 0.19113300 1.0 O O42 1 0.04662100 0.11648600 0.67286900 1.0 O O43 1 0.95337900 0.61648600 0.82713100 1.0 O O44 1 0.95337900 0.88351400 0.32713100 1.0 O O45 1 0.04662100 0.38351400 0.17286900 1.0 O O46 1 0.07603000 0.81239000 0.04014200 1.0 O O47 1 0.92397000 0.31239000 0.45985800 1.0 O O48 1 0.92397000 0.18761000 0.95985800 1.0 O O49 1 0.07603000 0.68761000 0.54014200 1.0