# generated using pymatgen data_Mn4P3NO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45656700 _cell_length_b 9.99486200 _cell_length_c 16.61120200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn4P3NO12 _chemical_formula_sum 'Mn16 P12 N4 O48' _cell_volume 1071.96232926 _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 Mn Mn0 1 0.50000000 0.54145200 0.09605900 1.0 Mn Mn1 1 0.50000000 0.45854800 0.90394100 1.0 Mn Mn2 1 0.00000000 0.04145200 0.40394100 1.0 Mn Mn3 1 0.00000000 0.95854800 0.59605900 1.0 Mn Mn4 1 0.50000000 0.98397100 0.13716300 1.0 Mn Mn5 1 0.50000000 0.01602900 0.86283700 1.0 Mn Mn6 1 0.00000000 0.48397100 0.36283700 1.0 Mn Mn7 1 0.00000000 0.51602900 0.63716300 1.0 Mn Mn8 1 0.24839200 0.25334500 0.20315700 1.0 Mn Mn9 1 0.24839200 0.74665500 0.79684300 1.0 Mn Mn10 1 0.25160800 0.75334500 0.29684300 1.0 Mn Mn11 1 0.25160800 0.24665500 0.70315700 1.0 Mn Mn12 1 0.75160800 0.74665500 0.79684300 1.0 Mn Mn13 1 0.75160800 0.25334500 0.20315700 1.0 Mn Mn14 1 0.74839200 0.24665500 0.70315700 1.0 Mn Mn15 1 0.74839200 0.75334500 0.29684300 1.0 P P16 1 0.50000000 0.04361000 0.33357000 1.0 P P17 1 0.50000000 0.95639000 0.66643000 1.0 P P18 1 0.00000000 0.54361000 0.16643000 1.0 P P19 1 0.00000000 0.45639000 0.83357000 1.0 P P20 1 0.50000000 0.46102000 0.28163000 1.0 P P21 1 0.50000000 0.53898000 0.71837000 1.0 P P22 1 0.00000000 0.96102000 0.21837000 1.0 P P23 1 0.00000000 0.03898000 0.78163000 1.0 P P24 1 0.50000000 0.78405200 0.96564400 1.0 P P25 1 0.50000000 0.21594800 0.03435600 1.0 P P26 1 0.00000000 0.28405200 0.53435600 1.0 P P27 1 0.00000000 0.71594800 0.46564400 1.0 N N28 1 0.50000000 0.30032400 0.47227200 1.0 N N29 1 0.50000000 0.69967600 0.52772800 1.0 N N30 1 0.00000000 0.80032400 0.02772800 1.0 N N31 1 0.00000000 0.19967600 0.97227200 1.0 O O32 1 0.69940000 0.08376700 0.37745200 1.0 O O33 1 0.69940000 0.91623300 0.62254800 1.0 O O34 1 0.80060000 0.58376700 0.12254800 1.0 O O35 1 0.80060000 0.41623300 0.87745200 1.0 O O36 1 0.30060000 0.91623300 0.62254800 1.0 O O37 1 0.30060000 0.08376700 0.37745200 1.0 O O38 1 0.19940000 0.41623300 0.87745200 1.0 O O39 1 0.19940000 0.58376700 0.12254800 1.0 O O40 1 0.50000000 0.62804400 0.98212000 1.0 O O41 1 0.50000000 0.37195600 0.01788000 1.0 O O42 1 0.00000000 0.12804400 0.51788000 1.0 O O43 1 0.00000000 0.87195600 0.48212000 1.0 O O44 1 0.50000000 0.40568400 0.18902900 1.0 O O45 1 0.50000000 0.59431600 0.81097100 1.0 O O46 1 0.00000000 0.90568400 0.31097100 1.0 O O47 1 0.00000000 0.09431600 0.68902900 1.0 O O48 1 0.50000000 0.84898900 0.04801700 1.0 O O49 1 0.50000000 0.15101100 0.95198300 1.0 O O50 1 0.00000000 0.34898900 0.45198300 1.0 O O51 1 0.00000000 0.65101100 0.54801700 1.0 O O52 1 0.20197600 0.90398800 0.18437200 1.0 O O53 1 0.20197600 0.09601200 0.81562800 1.0 O O54 1 0.29802400 0.40398800 0.31562800 1.0 O O55 1 0.29802400 0.59601200 0.68437200 1.0 O O56 1 0.79802400 0.09601200 0.81562800 1.0 O O57 1 0.79802400 0.90398800 0.18437200 1.0 O O58 1 0.70197600 0.59601200 0.68437200 1.0 O O59 1 0.70197600 0.40398800 0.31562800 1.0 O O60 1 0.50000000 0.11790200 0.24766800 1.0 O O61 1 0.50000000 0.88209800 0.75233200 1.0 O O62 1 0.00000000 0.61790200 0.25233200 1.0 O O63 1 0.00000000 0.38209800 0.74766800 1.0 O O64 1 0.68811800 0.17330400 0.08766900 1.0 O O65 1 0.68811800 0.82669600 0.91233100 1.0 O O66 1 0.81188200 0.67330400 0.41233100 1.0 O O67 1 0.81188200 0.32669600 0.58766900 1.0 O O68 1 0.31188200 0.82669600 0.91233100 1.0 O O69 1 0.31188200 0.17330400 0.08766900 1.0 O O70 1 0.18811800 0.32669600 0.58766900 1.0 O O71 1 0.18811800 0.67330400 0.41233100 1.0 O O72 1 0.50000000 0.88941100 0.31645500 1.0 O O73 1 0.50000000 0.11058900 0.68354500 1.0 O O74 1 0.00000000 0.38941100 0.18354500 1.0 O O75 1 0.00000000 0.61058900 0.81645500 1.0 O O76 1 0.50000000 0.61622200 0.27547400 1.0 O O77 1 0.50000000 0.38377800 0.72452600 1.0 O O78 1 0.00000000 0.11622200 0.22452600 1.0 O O79 1 0.00000000 0.88377800 0.77547400 1.0