# generated using pymatgen data_TaNb23As12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51850087 _cell_length_b 12.01341131 _cell_length_c 14.83876769 _cell_angle_alpha 89.97320249 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb23As12 _chemical_formula_sum 'Ta1 Nb23 As12' _cell_volume 627.22274355 _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 Ta Ta0 1 0.50000000 0.02675021 0.39036811 1.0 Nb Nb1 1 0.00000000 0.18800143 0.29634461 1.0 Nb Nb2 1 0.00000000 0.52676274 0.11000050 1.0 Nb Nb3 1 0.50000000 0.91174638 0.07834341 1.0 Nb Nb4 1 0.00000000 0.88587008 0.92659564 1.0 Nb Nb5 1 0.00000000 0.85792741 0.47672924 1.0 Nb Nb6 1 0.50000000 0.68877699 0.20408377 1.0 Nb Nb7 1 0.50000000 0.38617271 0.57340288 1.0 Nb Nb8 1 0.00000000 0.58843167 0.57818056 1.0 Nb Nb9 1 0.50000000 0.61396846 0.42652881 1.0 Nb Nb10 1 0.00000000 0.08451381 0.75807771 1.0 Nb Nb11 1 0.50000000 0.64255165 0.97731688 1.0 Nb Nb12 1 0.00000000 0.14262498 0.52216812 1.0 Nb Nb13 1 0.00000000 0.41145924 0.42184576 1.0 Nb Nb14 1 0.50000000 0.41550442 0.25807222 1.0 Nb Nb15 1 0.50000000 0.58450090 0.74188376 1.0 Nb Nb16 1 0.50000000 0.97335039 0.60926483 1.0 Nb Nb17 1 0.50000000 0.35742141 0.02278920 1.0 Nb Nb18 1 0.00000000 0.11383081 0.07367683 1.0 Nb Nb19 1 0.50000000 0.08819715 0.92171309 1.0 Nb Nb20 1 0.00000000 0.47306786 0.89014403 1.0 Nb Nb21 1 0.00000000 0.81131180 0.70391098 1.0 Nb Nb22 1 0.50000000 0.31109936 0.79579007 1.0 Nb Nb23 1 0.00000000 0.91649516 0.24326995 1.0 As As24 1 0.00000000 0.42614873 0.70341214 1.0 As As25 1 0.00000000 0.24702109 0.91715228 1.0 As As26 1 0.00000000 0.31076383 0.15144884 1.0 As As27 1 0.50000000 0.74736935 0.58268339 1.0 As As28 1 0.50000000 0.25263377 0.41697222 1.0 As As29 1 0.00000000 0.57383558 0.29664296 1.0 As As30 1 0.50000000 0.18902626 0.65120217 1.0 As As31 1 0.00000000 0.75284993 0.08290334 1.0 As As32 1 0.50000000 0.81082968 0.34860545 1.0 As As33 1 0.00000000 0.68911809 0.84858365 1.0 As As34 1 0.50000000 0.07389046 0.20345740 1.0 As As35 1 0.50000000 0.92617518 0.79643321 1.0