# generated using pymatgen data_Li28Mg22N25 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53079597 _cell_length_b 3.53079529 _cell_length_c 88.55638134 _cell_angle_alpha 60.10695369 _cell_angle_beta 60.10695984 _cell_angle_gamma 59.99999346 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li28Mg22N25 _chemical_formula_sum 'Li28 Mg22 N25' _cell_volume 781.89820832 _cell_formula_units_Z 1 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 Li Li0 1 0.75057800 0.75057800 0.02993100 1.0 Li Li1 1 0.74960500 0.74960500 0.07004700 1.0 Li Li2 1 0.74947300 0.74947300 0.11006300 1.0 Li Li3 1 0.74955000 0.74955000 0.15005400 1.0 Li Li4 1 0.74966700 0.74966700 0.19004000 1.0 Li Li5 1 0.74976100 0.74976100 0.23002900 1.0 Li Li6 1 0.74984500 0.74984500 0.27001900 1.0 Li Li7 1 0.74993700 0.74993700 0.31000800 1.0 Li Li8 1 0.75003300 0.75003300 0.34999600 1.0 Li Li9 1 0.75010400 0.75010400 0.38998800 1.0 Li Li10 1 0.75014600 0.75014600 0.42998200 1.0 Li Li11 1 0.75020500 0.75020500 0.46997500 1.0 Li Li12 1 0.75026800 0.75026800 0.50996800 1.0 Li Li13 1 0.75025900 0.75025900 0.54996900 1.0 Li Li14 1 0.74897000 0.74897000 0.59012400 1.0 Li Li15 1 0.24653500 0.24653500 0.65041600 1.0 Li Li16 1 0.72890500 0.72890500 0.63253100 1.0 Li Li17 1 0.76918500 0.76918500 0.66769800 1.0 Li Li18 1 0.75097400 0.75097400 0.70988300 1.0 Li Li19 1 0.74868100 0.74868100 0.75015800 1.0 Li Li20 1 0.24592800 0.24592800 0.81048900 1.0 Li Li21 1 0.72967100 0.72967100 0.79243900 1.0 Li Li22 1 0.76929800 0.76929800 0.82768400 1.0 Li Li23 1 0.75142100 0.75142100 0.86982900 1.0 Li Li24 1 0.74895400 0.74895400 0.91012600 1.0 Li Li25 1 0.24508700 0.24508700 0.97059000 1.0 Li Li26 1 0.72986400 0.72986400 0.95241600 1.0 Li Li27 1 0.76857500 0.76857500 0.98777100 1.0 Mg Mg28 1 0.25375200 0.25375200 0.00955000 1.0 Mg Mg29 1 0.25042400 0.25042400 0.04994900 1.0 Mg Mg30 1 0.24979000 0.24979000 0.09002500 1.0 Mg Mg31 1 0.24965600 0.24965600 0.13004100 1.0 Mg Mg32 1 0.24972100 0.24972100 0.17003300 1.0 Mg Mg33 1 0.24980200 0.24980200 0.21002400 1.0 Mg Mg34 1 0.24984900 0.24984900 0.25001800 1.0 Mg Mg35 1 0.24990400 0.24990400 0.29001100 1.0 Mg Mg36 1 0.25000900 0.25000900 0.32999900 1.0 Mg Mg37 1 0.25009800 0.25009800 0.36998800 1.0 Mg Mg38 1 0.25015200 0.25015200 0.40998200 1.0 Mg Mg39 1 0.25021200 0.25021200 0.44997500 1.0 Mg Mg40 1 0.25033600 0.25033600 0.48996000 1.0 Mg Mg41 1 0.25051500 0.25051500 0.52993800 1.0 Mg Mg42 1 0.25030700 0.25030700 0.56996300 1.0 Mg Mg43 1 0.24676200 0.24676200 0.61038900 1.0 Mg Mg44 1 0.25465400 0.25465400 0.68944200 1.0 Mg Mg45 1 0.25073500 0.25073500 0.72991200 1.0 Mg Mg46 1 0.24759800 0.24759800 0.77028800 1.0 Mg Mg47 1 0.25488700 0.25488700 0.84941400 1.0 Mg Mg48 1 0.25094300 0.25094300 0.88988700 1.0 Mg Mg49 1 0.24791800 0.24791800 0.93025000 1.0 N N50 1 0.99737400 0.99737400 0.00031500 1.0 N N51 1 0.99940000 0.99940000 0.04007200 1.0 N N52 1 0.99984800 0.99984800 0.08001800 1.0 N N53 1 0.00000500 0.00000500 0.11999900 1.0 N N54 1 0.00006900 0.00006900 0.15999200 1.0 N N55 1 0.00010500 0.00010500 0.19998700 1.0 N N56 1 0.00012800 0.00012800 0.23998500 1.0 N N57 1 0.00017100 0.00017100 0.27997900 1.0 N N58 1 0.00026700 0.00026700 0.31996800 1.0 N N59 1 0.00035000 0.00035000 0.35995800 1.0 N N60 1 0.00034800 0.00034800 0.39995800 1.0 N N61 1 0.00028600 0.00028600 0.43996600 1.0 N N62 1 0.00026200 0.00026200 0.47996900 1.0 N N63 1 0.00047400 0.00047400 0.51994300 1.0 N N64 1 0.00122300 0.00122300 0.55985300 1.0 N N65 1 0.00221100 0.00221100 0.59973500 1.0 N N66 1 0.00318000 0.00318000 0.63961800 1.0 N N67 1 0.99651600 0.99651600 0.68041800 1.0 N N68 1 0.99973800 0.99973800 0.72003100 1.0 N N69 1 0.00180200 0.00180200 0.75978400 1.0 N N70 1 0.00395400 0.00395400 0.79952500 1.0 N N71 1 0.00170100 0.00170100 0.91979600 1.0 N N72 1 0.99739600 0.99739600 0.84031300 1.0 N N73 1 0.00010300 0.00010300 0.87998800 1.0 N N74 1 0.00358600 0.00358600 0.95957000 1.0