# generated using pymatgen data_Mn23As16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71900100 _cell_length_b 7.01454372 _cell_length_c 12.85376913 _cell_angle_alpha 97.84380113 _cell_angle_beta 97.71992468 _cell_angle_gamma 104.92936359 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn23As16 _chemical_formula_sum 'Mn23 As16' _cell_volume 570.71830590 _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 Mn Mn0 1 0.13554600 0.93293700 0.59690200 1.0 Mn Mn1 1 0.13008800 0.43223700 0.59263200 1.0 Mn Mn2 1 0.87052000 0.06812200 0.40781700 1.0 Mn Mn3 1 0.87024300 0.56828900 0.40876800 1.0 Mn Mn4 1 0.14138100 0.22725000 0.76706100 1.0 Mn Mn5 1 0.13874000 0.72651000 0.76708000 1.0 Mn Mn6 1 0.85487700 0.76964500 0.23221700 1.0 Mn Mn7 1 0.85396900 0.27295700 0.23075900 1.0 Mn Mn8 1 0.78860400 0.87780000 0.71998400 1.0 Mn Mn9 1 0.79096400 0.37937400 0.72004500 1.0 Mn Mn10 1 0.22391600 0.12579300 0.28269000 1.0 Mn Mn11 1 0.22273400 0.62614900 0.28324400 1.0 Mn Mn12 1 0.49546200 0.00145000 0.51029600 1.0 Mn Mn13 1 0.49686400 0.49839000 0.50357900 1.0 Mn Mn14 1 0.57076900 0.38103200 0.90247800 1.0 Mn Mn15 1 0.56982200 0.85580500 0.90418500 1.0 Mn Mn16 1 0.42201100 0.62668200 0.08253500 1.0 Mn Mn17 1 0.42474000 0.12921100 0.08752900 1.0 Mn Mn18 1 0.00436100 0.50182200 0.99953900 1.0 Mn Mn19 1 0.00261300 0.99989500 0.99885800 1.0 Mn Mn20 1 0.47583500 0.05715400 0.75240800 1.0 Mn Mn21 1 0.52318600 0.44359000 0.24578000 1.0 Mn Mn22 1 0.52382900 0.94000400 0.24496700 1.0 As As23 1 0.13002200 0.88282800 0.40565900 1.0 As As24 1 0.12706800 0.38196200 0.40307700 1.0 As As25 1 0.87074400 0.11687900 0.59642300 1.0 As As26 1 0.86853100 0.61860200 0.59698800 1.0 As As27 1 0.59686600 0.74355300 0.37555600 1.0 As As28 1 0.59695300 0.24114700 0.37469200 1.0 As As29 1 0.40840900 0.27341700 0.63677600 1.0 As As30 1 0.40729200 0.74885400 0.63756600 1.0 As As31 1 0.82537700 0.17270700 0.86446800 1.0 As As32 1 0.82665300 0.67197200 0.86359600 1.0 As As33 1 0.17452100 0.82613800 0.13370900 1.0 As As34 1 0.17500000 0.32907600 0.13395600 1.0 As As35 1 0.29718500 0.04808500 0.89840200 1.0 As As36 1 0.29026600 0.54627300 0.89134000 1.0 As As37 1 0.70415800 0.94910000 0.09675700 1.0 As As38 1 0.70130400 0.45170200 0.09582400 1.0