# generated using pymatgen data_Ba(MnN2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.73464408 _cell_length_b 10.73464408 _cell_length_c 10.73464408 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(MnN2)2 _chemical_formula_sum 'Ba12 Mn24 N48' _cell_volume 1236.98077055 _cell_formula_units_Z 12 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 Ba Ba0 1 0.50000000 0.50000000 0.00000000 1.0 Ba Ba1 1 0.50000000 0.00000000 0.50000000 1.0 Ba Ba2 1 0.00000000 0.50000000 0.50000000 1.0 Ba Ba3 1 0.00000000 0.00000000 0.00000000 1.0 Ba Ba4 1 0.12479681 0.87520319 0.37520319 1.0 Ba Ba5 1 0.87520319 0.37520319 0.12479681 1.0 Ba Ba6 1 0.37520319 0.12479681 0.87520319 1.0 Ba Ba7 1 0.62479681 0.62479681 0.62479681 1.0 Ba Ba8 1 0.87520319 0.12479681 0.62479681 1.0 Ba Ba9 1 0.12479681 0.62479681 0.87520319 1.0 Ba Ba10 1 0.62479681 0.87520319 0.12479681 1.0 Ba Ba11 1 0.37520319 0.37520319 0.37520319 1.0 Mn Mn12 1 0.38546777 0.69348428 0.34722378 1.0 Mn Mn13 1 0.61453223 0.19348428 0.15277622 1.0 Mn Mn14 1 0.11453223 0.30651572 0.84722378 1.0 Mn Mn15 1 0.88546777 0.80651572 0.65277622 1.0 Mn Mn16 1 0.34722378 0.38546777 0.69348428 1.0 Mn Mn17 1 0.15277622 0.61453223 0.19348428 1.0 Mn Mn18 1 0.84722378 0.11453223 0.30651572 1.0 Mn Mn19 1 0.65277622 0.88546777 0.80651572 1.0 Mn Mn20 1 0.69348428 0.34722378 0.38546777 1.0 Mn Mn21 1 0.19348428 0.15277622 0.61453223 1.0 Mn Mn22 1 0.30651572 0.84722378 0.11453223 1.0 Mn Mn23 1 0.80651572 0.65277622 0.88546777 1.0 Mn Mn24 1 0.61453223 0.30651572 0.65277622 1.0 Mn Mn25 1 0.38546777 0.80651572 0.84722378 1.0 Mn Mn26 1 0.88546777 0.69348428 0.15277622 1.0 Mn Mn27 1 0.11453223 0.19348428 0.34722378 1.0 Mn Mn28 1 0.65277622 0.61453223 0.30651572 1.0 Mn Mn29 1 0.84722378 0.38546777 0.80651572 1.0 Mn Mn30 1 0.15277622 0.88546777 0.69348428 1.0 Mn Mn31 1 0.34722378 0.11453223 0.19348428 1.0 Mn Mn32 1 0.30651572 0.65277622 0.61453223 1.0 Mn Mn33 1 0.80651572 0.84722378 0.38546777 1.0 Mn Mn34 1 0.69348428 0.15277622 0.88546777 1.0 Mn Mn35 1 0.19348428 0.34722378 0.11453223 1.0 N N36 1 0.37426976 0.83049568 0.26125225 1.0 N N37 1 0.62573024 0.33049568 0.23874775 1.0 N N38 1 0.12573024 0.16950432 0.76125225 1.0 N N39 1 0.87426976 0.66950432 0.73874775 1.0 N N40 1 0.26125225 0.37426976 0.83049568 1.0 N N41 1 0.23874775 0.62573024 0.33049568 1.0 N N42 1 0.76125225 0.12573024 0.16950432 1.0 N N43 1 0.73874775 0.87426976 0.66950432 1.0 N N44 1 0.83049568 0.26125225 0.37426976 1.0 N N45 1 0.33049568 0.23874775 0.62573024 1.0 N N46 1 0.16950432 0.76125225 0.12573024 1.0 N N47 1 0.66950432 0.73874775 0.87426976 1.0 N N48 1 0.62573024 0.16950432 0.73874775 1.0 N N49 1 0.37426976 0.66950432 0.76125225 1.0 N N50 1 0.87426976 0.83049568 0.23874775 1.0 N N51 1 0.12573024 0.33049568 0.26125225 1.0 N N52 1 0.73874775 0.62573024 0.16950432 1.0 N N53 1 0.76125225 0.37426976 0.66950432 1.0 N N54 1 0.23874775 0.87426976 0.83049568 1.0 N N55 1 0.26125225 0.12573024 0.33049568 1.0 N N56 1 0.16950432 0.73874775 0.62573024 1.0 N N57 1 0.66950432 0.76125225 0.37426976 1.0 N N58 1 0.83049568 0.23874775 0.87426976 1.0 N N59 1 0.33049568 0.26125225 0.12573024 1.0 N N60 1 0.41077742 0.72606421 0.50342594 1.0 N N61 1 0.58922258 0.22606421 0.99657406 1.0 N N62 1 0.08922258 0.27393579 0.00342594 1.0 N N63 1 0.91077742 0.77393579 0.49657406 1.0 N N64 1 0.50342594 0.41077742 0.72606421 1.0 N N65 1 0.99657406 0.58922258 0.22606421 1.0 N N66 1 0.00342594 0.08922258 0.27393579 1.0 N N67 1 0.49657406 0.91077742 0.77393579 1.0 N N68 1 0.72606421 0.50342594 0.41077742 1.0 N N69 1 0.22606421 0.99657406 0.58922258 1.0 N N70 1 0.27393579 0.00342594 0.08922258 1.0 N N71 1 0.77393579 0.49657406 0.91077742 1.0 N N72 1 0.58922258 0.27393579 0.49657406 1.0 N N73 1 0.41077742 0.77393579 0.00342594 1.0 N N74 1 0.91077742 0.72606421 0.99657406 1.0 N N75 1 0.08922258 0.22606421 0.50342594 1.0 N N76 1 0.49657406 0.58922258 0.27393579 1.0 N N77 1 0.00342594 0.41077742 0.77393579 1.0 N N78 1 0.99657406 0.91077742 0.72606421 1.0 N N79 1 0.50342594 0.08922258 0.22606421 1.0 N N80 1 0.27393579 0.49657406 0.58922258 1.0 N N81 1 0.77393579 0.00342594 0.41077742 1.0 N N82 1 0.72606421 0.99657406 0.91077742 1.0 N N83 1 0.22606421 0.50342594 0.08922258 1.0