# generated using pymatgen data_KMo4(P2O7)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03849500 _cell_length_b 15.53798334 _cell_length_c 15.53798334 _cell_angle_alpha 91.50634762 _cell_angle_beta 99.33083009 _cell_angle_gamma 80.66916991 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMo4(P2O7)4 _chemical_formula_sum 'K2 Mo8 P16 O56' _cell_volume 1184.46107264 _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 K K0 1 0.29549100 0.25000000 0.75000000 1.0 K K1 1 0.54549100 0.75000000 0.25000000 1.0 Mo Mo2 1 0.41002200 0.27909300 0.49024700 1.0 Mo Mo3 1 0.69886700 0.22090700 0.00975300 1.0 Mo Mo4 1 0.91977500 0.49024700 0.22090700 1.0 Mo Mo5 1 0.68911500 0.00975300 0.27909300 1.0 Mo Mo6 1 0.58934100 0.71999400 0.50860600 1.0 Mo Mo7 1 0.30073000 0.78000600 0.99139400 1.0 Mo Mo8 1 0.08073500 0.50860600 0.78000600 1.0 Mo Mo9 1 0.30933600 0.99139400 0.71999400 1.0 P P10 1 0.81235800 0.39016500 0.39376700 1.0 P P11 1 0.30875600 0.10983500 0.10623300 1.0 P P12 1 0.41859100 0.39376700 0.10983500 1.0 P P13 1 0.20252300 0.10623300 0.39016500 1.0 P P14 1 0.18865800 0.60972400 0.60628000 1.0 P P15 1 0.69210200 0.89027600 0.89372000 1.0 P P16 1 0.58237900 0.60628000 0.89027600 1.0 P P17 1 0.79838200 0.89372000 0.60972400 1.0 P P18 1 0.52353400 0.44012100 0.64747900 1.0 P P19 1 0.81617600 0.05987900 0.85252100 1.0 P P20 1 0.87605500 0.64747900 0.05987900 1.0 P P21 1 0.96365500 0.85252100 0.44012100 1.0 P P22 1 0.47815100 0.55954300 0.35341200 1.0 P P23 1 0.18428200 0.94045700 0.14658800 1.0 P P24 1 0.12473900 0.35341200 0.94045700 1.0 P P25 1 0.03769400 0.14658800 0.55954300 1.0 O O26 1 0.67034500 0.48841900 0.41870600 1.0 O O27 1 0.24005900 0.01158100 0.08129400 1.0 O O28 1 0.25164000 0.41870600 0.01158100 1.0 O O29 1 0.15876400 0.08129400 0.48841900 1.0 O O30 1 0.33255600 0.51305200 0.58264400 1.0 O O31 1 0.76296400 0.98694800 0.91735600 1.0 O O32 1 0.74991200 0.58264400 0.98694800 1.0 O O33 1 0.84560800 0.91735600 0.51305200 1.0 O O34 1 0.57731600 0.35742700 0.59632100 1.0 O O35 1 0.83842300 0.14257300 0.90367900 1.0 O O36 1 0.98099500 0.59632100 0.14257300 1.0 O O37 1 0.93474400 0.90367900 0.35742700 1.0 O O38 1 0.42799900 0.64379800 0.40627600 1.0 O O39 1 0.16552200 0.85620200 0.09372400 1.0 O O40 1 0.02172400 0.40627600 0.85620200 1.0 O O41 1 0.07179700 0.09372400 0.64379800 1.0 O O42 1 0.24542000 0.20079600 0.39132200 1.0 O O43 1 0.55489300 0.29920400 0.10867800 1.0 O O44 1 0.85409700 0.39132200 0.29920400 1.0 O O45 1 0.44621500 0.10867800 0.20079600 1.0 O O46 1 0.75201900 0.79949800 0.60882000 1.0 O O47 1 0.44269700 0.70050200 0.89118000 1.0 O O48 1 0.14319900 0.60882000 0.70050200 1.0 O O49 1 0.55151700 0.89118000 0.79949800 1.0 O O50 1 0.07196900 0.37509800 0.46126000 1.0 O O51 1 0.48580700 0.12490200 0.03874000 1.0 O O52 1 0.61070800 0.46126000 0.12490200 1.0 O O53 1 0.44706700 0.03874000 0.37509800 1.0 O O54 1 0.92333200 0.62712300 0.53998200 1.0 O O55 1 0.51047300 0.87287700 0.96001800 1.0 O O56 1 0.38335000 0.53998200 0.87287700 1.0 O O57 1 0.55045600 0.96001800 0.62712300 1.0 O O58 1 0.73982300 0.17947700 0.52666300 1.0 O O59 1 0.89263800 0.32052300 0.97333700 1.0 O O60 1 0.21316000 0.52666300 0.32052300 1.0 O O61 1 0.91930100 0.97333700 0.17947700 1.0 O O62 1 0.26191000 0.81700400 0.47591700 1.0 O O63 1 0.10299600 0.68299600 0.02408300 1.0 O O64 1 0.78599300 0.47591700 0.68299600 1.0 O O65 1 0.07891300 0.02408300 0.81700400 1.0 O O66 1 0.20751500 0.22127400 0.57673500 1.0 O O67 1 0.35205400 0.27872600 0.92326500 1.0 O O68 1 0.63078000 0.57673500 0.27872600 1.0 O O69 1 0.42879000 0.92326500 0.22127400 1.0 O O70 1 0.78872300 0.77751500 0.42619400 1.0 O O71 1 0.64004400 0.72248500 0.07380600 1.0 O O72 1 0.36253000 0.42619400 0.72248500 1.0 O O73 1 0.56623800 0.07380600 0.77751500 1.0 O O74 1 0.61671200 0.32793300 0.40472800 1.0 O O75 1 0.03991600 0.17206700 0.09527200 1.0 O O76 1 0.21198400 0.40472800 0.17206700 1.0 O O77 1 0.94464500 0.09527200 0.32793300 1.0 O O78 1 0.38597500 0.67233900 0.59418600 1.0 O O79 1 0.96412800 0.82766100 0.90581400 1.0 O O80 1 0.79178900 0.59418600 0.82766100 1.0 O O81 1 0.05831400 0.90581400 0.67233900 1.0