# generated using pymatgen data_Mg2S3(NO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.08546550 _cell_length_b 10.08546550 _cell_length_c 10.08546550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2S3(NO6)2 _chemical_formula_sum 'Mg8 S12 N8 O48' _cell_volume 1025.85940482 _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 0.91468454 0.41468454 0.08531546 1.0 Mg Mg1 1 0.41468454 0.08531546 0.91468454 1.0 Mg Mg2 1 0.08531546 0.91468454 0.41468454 1.0 Mg Mg3 1 0.58531546 0.58531546 0.58531546 1.0 Mg Mg4 1 0.64862095 0.14862095 0.35137905 1.0 Mg Mg5 1 0.14862095 0.35137905 0.64862095 1.0 Mg Mg6 1 0.35137905 0.64862095 0.14862095 1.0 Mg Mg7 1 0.85137905 0.85137905 0.85137905 1.0 S S8 1 0.23390432 0.37567491 0.96619939 1.0 S S9 1 0.03380061 0.73390432 0.12432509 1.0 S S10 1 0.87567491 0.53380061 0.76609568 1.0 S S11 1 0.73390432 0.12432509 0.03380061 1.0 S S12 1 0.53380061 0.76609568 0.87567491 1.0 S S13 1 0.37567491 0.96619939 0.23390432 1.0 S S14 1 0.76609568 0.87567491 0.53380061 1.0 S S15 1 0.96619939 0.23390432 0.37567491 1.0 S S16 1 0.12432509 0.03380061 0.73390432 1.0 S S17 1 0.26609568 0.62432509 0.46619939 1.0 S S18 1 0.46619939 0.26609568 0.62432509 1.0 S S19 1 0.62432509 0.46619939 0.26609568 1.0 N N20 1 0.43393892 0.93393892 0.56606108 1.0 N N21 1 0.93393892 0.56606108 0.43393892 1.0 N N22 1 0.56606108 0.43393892 0.93393892 1.0 N N23 1 0.06606108 0.06606108 0.06606108 1.0 N N24 1 0.20216787 0.70216787 0.79783213 1.0 N N25 1 0.70216787 0.79783213 0.20216787 1.0 N N26 1 0.79783213 0.20216787 0.70216787 1.0 N N27 1 0.29783213 0.29783213 0.29783213 1.0 O O28 1 0.09348804 0.35192224 0.00279466 1.0 O O29 1 0.99720534 0.59348804 0.14807776 1.0 O O30 1 0.85192224 0.49720534 0.90651196 1.0 O O31 1 0.59348804 0.14807776 0.99720534 1.0 O O32 1 0.49720534 0.90651196 0.85192224 1.0 O O33 1 0.35192224 0.00279466 0.09348804 1.0 O O34 1 0.90651196 0.85192224 0.49720534 1.0 O O35 1 0.00279466 0.09348804 0.35192224 1.0 O O36 1 0.14807776 0.99720534 0.59348804 1.0 O O37 1 0.40651196 0.64807776 0.50279466 1.0 O O38 1 0.50279466 0.40651196 0.64807776 1.0 O O39 1 0.64807776 0.50279466 0.40651196 1.0 O O40 1 0.30979033 0.25072786 0.98126434 1.0 O O41 1 0.01873566 0.80979033 0.24927214 1.0 O O42 1 0.75072786 0.51873566 0.69020967 1.0 O O43 1 0.80979033 0.24927214 0.01873566 1.0 O O44 1 0.51873566 0.69020967 0.75072786 1.0 O O45 1 0.25072786 0.98126434 0.30979033 1.0 O O46 1 0.69020967 0.75072786 0.51873566 1.0 O O47 1 0.98126434 0.30979033 0.25072786 1.0 O O48 1 0.24927214 0.01873566 0.80979033 1.0 O O49 1 0.19020967 0.74927214 0.48126434 1.0 O O50 1 0.48126434 0.19020967 0.74927214 1.0 O O51 1 0.74927214 0.48126434 0.19020967 1.0 O O52 1 0.23899614 0.41722019 0.82532680 1.0 O O53 1 0.17467320 0.73899614 0.08277981 1.0 O O54 1 0.91722019 0.67467320 0.76100386 1.0 O O55 1 0.73899614 0.08277981 0.17467320 1.0 O O56 1 0.67467320 0.76100386 0.91722019 1.0 O O57 1 0.41722019 0.82532680 0.23899614 1.0 O O58 1 0.76100386 0.91722019 0.67467320 1.0 O O59 1 0.82532680 0.23899614 0.41722019 1.0 O O60 1 0.08277981 0.17467320 0.73899614 1.0 O O61 1 0.26100386 0.58277981 0.32532680 1.0 O O62 1 0.32532680 0.26100386 0.58277981 1.0 O O63 1 0.58277981 0.32532680 0.26100386 1.0 O O64 1 0.29181995 0.47734262 0.05284329 1.0 O O65 1 0.94715671 0.79181995 0.02265738 1.0 O O66 1 0.97734262 0.44715671 0.70818005 1.0 O O67 1 0.79181995 0.02265738 0.94715671 1.0 O O68 1 0.44715671 0.70818005 0.97734262 1.0 O O69 1 0.47734262 0.05284329 0.29181995 1.0 O O70 1 0.70818005 0.97734262 0.44715671 1.0 O O71 1 0.05284329 0.29181995 0.47734262 1.0 O O72 1 0.02265738 0.94715671 0.79181995 1.0 O O73 1 0.20818005 0.52265738 0.55284329 1.0 O O74 1 0.55284329 0.20818005 0.52265738 1.0 O O75 1 0.52265738 0.55284329 0.20818005 1.0