# generated using pymatgen data_Mn14Si23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98659700 _cell_length_b 13.62763300 _cell_length_c 13.98125400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn14Si23 _chemical_formula_sum 'Mn28 Si46' _cell_volume 950.10329963 _cell_formula_units_Z 2 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 Mn Mn0 1 0.50000000 0.25735700 0.54148300 1.0 Mn Mn1 1 0.50000000 0.21311800 0.73737700 1.0 Mn Mn2 1 0.00000000 0.24264300 0.04148300 1.0 Mn Mn3 1 0.00000000 0.43025000 0.94067600 1.0 Mn Mn4 1 0.00000000 0.71311800 0.76262300 1.0 Mn Mn5 1 0.50000000 0.93025000 0.55932400 1.0 Mn Mn6 1 0.50000000 0.14892600 0.02603800 1.0 Mn Mn7 1 0.50000000 0.57168900 0.17197900 1.0 Mn Mn8 1 0.50000000 0.74264300 0.45851700 1.0 Mn Mn9 1 0.00000000 0.88727900 0.25770800 1.0 Mn Mn10 1 0.50000000 0.51293500 0.57683800 1.0 Mn Mn11 1 0.50000000 0.78688200 0.26262300 1.0 Mn Mn12 1 0.50000000 0.61272100 0.75770800 1.0 Mn Mn13 1 0.50000000 0.48706500 0.42316200 1.0 Mn Mn14 1 0.50000000 0.42831100 0.82802100 1.0 Mn Mn15 1 0.00000000 0.07168900 0.32802100 1.0 Mn Mn16 1 0.00000000 0.35107400 0.52603800 1.0 Mn Mn17 1 0.00000000 0.92831100 0.67197900 1.0 Mn Mn18 1 0.00000000 0.56975000 0.05932400 1.0 Mn Mn19 1 0.00000000 0.11272100 0.74229200 1.0 Mn Mn20 1 0.00000000 0.98706500 0.07683800 1.0 Mn Mn21 1 0.00000000 0.28688200 0.23737700 1.0 Mn Mn22 1 0.00000000 0.01293500 0.92316200 1.0 Mn Mn23 1 0.50000000 0.85107400 0.97396200 1.0 Mn Mn24 1 0.50000000 0.38727900 0.24229200 1.0 Mn Mn25 1 0.50000000 0.06975000 0.44067600 1.0 Mn Mn26 1 0.00000000 0.64892600 0.47396200 1.0 Mn Mn27 1 0.00000000 0.75735700 0.95851700 1.0 Si Si28 1 0.00000000 0.31141900 0.82022700 1.0 Si Si29 1 0.73367100 0.09672600 0.60675100 1.0 Si Si30 1 0.50000000 0.74588400 0.84750000 1.0 Si Si31 1 0.27281600 0.61150900 0.32848700 1.0 Si Si32 1 0.50000000 0.98738900 0.08449500 1.0 Si Si33 1 0.74204300 0.33805100 0.38617500 1.0 Si Si34 1 0.25795700 0.33805100 0.38617500 1.0 Si Si35 1 0.00000000 0.75411600 0.34750000 1.0 Si Si36 1 0.50000000 0.01884300 0.73722300 1.0 Si Si37 1 0.25795700 0.66194900 0.61382500 1.0 Si Si38 1 0.00000000 0.18429400 0.46342200 1.0 Si Si39 1 0.76632900 0.40327400 0.10675100 1.0 Si Si40 1 0.27281600 0.38849100 0.67151300 1.0 Si Si41 1 0.75795700 0.83805100 0.11382500 1.0 Si Si42 1 0.50000000 0.81141900 0.67977300 1.0 Si Si43 1 0.23367100 0.59672600 0.89324900 1.0 Si Si44 1 0.76632900 0.59672600 0.89324900 1.0 Si Si45 1 0.00000000 0.48115700 0.23722300 1.0 Si Si46 1 0.72718400 0.61150900 0.32848700 1.0 Si Si47 1 0.72718400 0.38849100 0.67151300 1.0 Si Si48 1 0.75795700 0.16194900 0.88617500 1.0 Si Si49 1 0.00000000 0.81570600 0.53657800 1.0 Si Si50 1 0.50000000 0.18858100 0.32022700 1.0 Si Si51 1 0.23367100 0.40327400 0.10675100 1.0 Si Si52 1 0.50000000 0.68429400 0.03657800 1.0 Si Si53 1 0.24204300 0.16194900 0.88617500 1.0 Si Si54 1 0.00000000 0.00000000 0.50000000 1.0 Si Si55 1 0.50000000 0.01261100 0.91550500 1.0 Si Si56 1 0.74204300 0.66194900 0.61382500 1.0 Si Si57 1 0.26632900 0.90327400 0.39324900 1.0 Si Si58 1 0.77281600 0.88849100 0.82848700 1.0 Si Si59 1 0.00000000 0.68858100 0.17977300 1.0 Si Si60 1 0.50000000 0.98115700 0.26277700 1.0 Si Si61 1 0.00000000 0.24588400 0.65250000 1.0 Si Si62 1 0.24204300 0.83805100 0.11382500 1.0 Si Si63 1 0.00000000 0.51884300 0.76277700 1.0 Si Si64 1 0.26632900 0.09672600 0.60675100 1.0 Si Si65 1 0.77281600 0.11150900 0.17151300 1.0 Si Si66 1 0.73367100 0.90327400 0.39324900 1.0 Si Si67 1 0.50000000 0.31570600 0.96342200 1.0 Si Si68 1 0.50000000 0.50000000 0.00000000 1.0 Si Si69 1 0.00000000 0.51261100 0.58449500 1.0 Si Si70 1 0.50000000 0.25411600 0.15250000 1.0 Si Si71 1 0.22718400 0.88849100 0.82848700 1.0 Si Si72 1 0.22718400 0.11150900 0.17151300 1.0 Si Si73 1 0.00000000 0.48738900 0.41550500 1.0