# generated using pymatgen data_MgNiSbP2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49083200 _cell_length_b 7.31408200 _cell_length_c 14.56698300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNiSbP2O9 _chemical_formula_sum 'Mg4 Ni4 Sb4 P8 O36' _cell_volume 691.55990662 _cell_formula_units_Z 4 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 Mg Mg0 1 0.25000000 0.44478000 0.30360200 1.0 Mg Mg1 1 0.25000000 0.05522000 0.80360200 1.0 Mg Mg2 1 0.75000000 0.55522000 0.69639800 1.0 Mg Mg3 1 0.75000000 0.94478000 0.19639800 1.0 Ni Ni4 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni5 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni6 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni7 1 0.50000000 0.50000000 0.50000000 1.0 Sb Sb8 1 0.25000000 0.86635900 0.38142600 1.0 Sb Sb9 1 0.75000000 0.13364100 0.61857400 1.0 Sb Sb10 1 0.75000000 0.36635900 0.11857400 1.0 Sb Sb11 1 0.25000000 0.63364100 0.88142600 1.0 P P12 1 0.75000000 0.86432200 0.41879300 1.0 P P13 1 0.25000000 0.13567800 0.58120700 1.0 P P14 1 0.25000000 0.36432200 0.08120700 1.0 P P15 1 0.75000000 0.63567800 0.91879300 1.0 P P16 1 0.25000000 0.88104100 0.18769300 1.0 P P17 1 0.75000000 0.11895900 0.81230700 1.0 P P18 1 0.75000000 0.38104100 0.31230700 1.0 P P19 1 0.25000000 0.61895900 0.68769300 1.0 O O20 1 0.54641100 0.11920700 0.86881300 1.0 O O21 1 0.04641100 0.88079300 0.13118700 1.0 O O22 1 0.45358900 0.61920700 0.63118700 1.0 O O23 1 0.95358900 0.38079300 0.36881300 1.0 O O24 1 0.45358900 0.88079300 0.13118700 1.0 O O25 1 0.95358900 0.11920700 0.86881300 1.0 O O26 1 0.54641100 0.38079300 0.36881300 1.0 O O27 1 0.04641100 0.61920700 0.63118700 1.0 O O28 1 0.75000000 0.81451000 0.97490000 1.0 O O29 1 0.25000000 0.18549000 0.02510000 1.0 O O30 1 0.25000000 0.31451000 0.52510000 1.0 O O31 1 0.75000000 0.68549000 0.47490000 1.0 O O32 1 0.25000000 0.61281200 0.43086000 1.0 O O33 1 0.75000000 0.38718800 0.56914000 1.0 O O34 1 0.75000000 0.11281200 0.06914000 1.0 O O35 1 0.25000000 0.88718800 0.93086000 1.0 O O36 1 0.25000000 0.70834800 0.25375500 1.0 O O37 1 0.75000000 0.29165200 0.74624500 1.0 O O38 1 0.75000000 0.20834800 0.24624500 1.0 O O39 1 0.25000000 0.79165200 0.75375500 1.0 O O40 1 0.93199500 0.62997500 0.84832900 1.0 O O41 1 0.43199500 0.37002500 0.15167100 1.0 O O42 1 0.06800500 0.12997500 0.65167100 1.0 O O43 1 0.56800500 0.87002500 0.34832900 1.0 O O44 1 0.06800500 0.37002500 0.15167100 1.0 O O45 1 0.56800500 0.62997500 0.84832900 1.0 O O46 1 0.93199500 0.87002500 0.34832900 1.0 O O47 1 0.43199500 0.12997500 0.65167100 1.0 O O48 1 0.25000000 0.45713200 0.75755000 1.0 O O49 1 0.75000000 0.54286800 0.24245000 1.0 O O50 1 0.75000000 0.95713200 0.74245000 1.0 O O51 1 0.25000000 0.04286800 0.25755000 1.0 O O52 1 0.25000000 0.53754700 0.02308600 1.0 O O53 1 0.75000000 0.46245300 0.97691400 1.0 O O54 1 0.75000000 0.03754700 0.47691400 1.0 O O55 1 0.25000000 0.96245300 0.52308600 1.0