# generated using pymatgen data_MgNiBiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25492300 _cell_length_b 10.04216000 _cell_length_c 14.96318700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNiBiO5 _chemical_formula_sum 'Mg8 Ni8 Bi8 O40' _cell_volume 789.61901267 _cell_formula_units_Z 8 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 0.51770200 0.37188600 0.56141100 1.0 Mg Mg1 1 0.01770200 0.12811400 0.56141100 1.0 Mg Mg2 1 0.01770200 0.62811400 0.93858900 1.0 Mg Mg3 1 0.98229800 0.37188600 0.06141100 1.0 Mg Mg4 1 0.48229800 0.12811400 0.06141100 1.0 Mg Mg5 1 0.98229800 0.87188600 0.43858900 1.0 Mg Mg6 1 0.48229800 0.62811400 0.43858900 1.0 Mg Mg7 1 0.51770200 0.87188600 0.93858900 1.0 Ni Ni8 1 0.03836000 0.40262800 0.42593700 1.0 Ni Ni9 1 0.46164000 0.90262800 0.57406300 1.0 Ni Ni10 1 0.96164000 0.59737200 0.57406300 1.0 Ni Ni11 1 0.53836000 0.09737200 0.42593700 1.0 Ni Ni12 1 0.96164000 0.09737200 0.92593700 1.0 Ni Ni13 1 0.03836000 0.90262800 0.07406300 1.0 Ni Ni14 1 0.46164000 0.40262800 0.92593700 1.0 Ni Ni15 1 0.53836000 0.59737200 0.07406300 1.0 Bi Bi16 1 0.98995300 0.85660800 0.74936600 1.0 Bi Bi17 1 0.01004700 0.14339200 0.25063400 1.0 Bi Bi18 1 0.51004700 0.35660800 0.25063400 1.0 Bi Bi19 1 0.01004700 0.64339200 0.24936600 1.0 Bi Bi20 1 0.48995300 0.14339200 0.75063400 1.0 Bi Bi21 1 0.48995300 0.64339200 0.74936600 1.0 Bi Bi22 1 0.51004700 0.85660800 0.24936600 1.0 Bi Bi23 1 0.98995300 0.35660800 0.75063400 1.0 O O24 1 0.85436000 0.31468900 0.32528900 1.0 O O25 1 0.25149200 0.01456200 0.97531800 1.0 O O26 1 0.24850800 0.51456200 0.02468200 1.0 O O27 1 0.30406900 0.79665400 0.83348700 1.0 O O28 1 0.19593100 0.29665400 0.16651300 1.0 O O29 1 0.85436000 0.81468900 0.17471100 1.0 O O30 1 0.19593100 0.79665400 0.33348700 1.0 O O31 1 0.64564000 0.81468900 0.67471100 1.0 O O32 1 0.25149200 0.51456200 0.52468200 1.0 O O33 1 0.14564000 0.68531100 0.67471100 1.0 O O34 1 0.64564000 0.31468900 0.82528900 1.0 O O35 1 0.70864000 0.22411500 0.49051200 1.0 O O36 1 0.75149200 0.98543800 0.52468200 1.0 O O37 1 0.69593100 0.70334600 0.33348700 1.0 O O38 1 0.25374700 0.00147700 0.16438400 1.0 O O39 1 0.75149200 0.48543800 0.97531800 1.0 O O40 1 0.14564000 0.18531100 0.82528900 1.0 O O41 1 0.80406900 0.20334600 0.66651300 1.0 O O42 1 0.20864000 0.77588500 0.00948800 1.0 O O43 1 0.24850800 0.01456200 0.47531800 1.0 O O44 1 0.29136000 0.77588500 0.50948800 1.0 O O45 1 0.74625300 0.99852300 0.83561600 1.0 O O46 1 0.69593100 0.20334600 0.16651300 1.0 O O47 1 0.75374700 0.99852300 0.33561600 1.0 O O48 1 0.29136000 0.27588500 0.99051200 1.0 O O49 1 0.20864000 0.27588500 0.49051200 1.0 O O50 1 0.74850800 0.48543800 0.47531800 1.0 O O51 1 0.74850800 0.98543800 0.02468200 1.0 O O52 1 0.75374700 0.49852300 0.16438400 1.0 O O53 1 0.79136000 0.72411500 0.50948800 1.0 O O54 1 0.79136000 0.22411500 0.99051200 1.0 O O55 1 0.70864000 0.72411500 0.00948800 1.0 O O56 1 0.74625300 0.49852300 0.66438400 1.0 O O57 1 0.80406900 0.70334600 0.83348700 1.0 O O58 1 0.30406900 0.29665400 0.66651300 1.0 O O59 1 0.25374700 0.50147700 0.33561600 1.0 O O60 1 0.24625300 0.50147700 0.83561600 1.0 O O61 1 0.35436000 0.18531100 0.32528900 1.0 O O62 1 0.24625300 0.00147700 0.66438400 1.0 O O63 1 0.35436000 0.68531100 0.17471100 1.0