# generated using pymatgen data_Ta4Ti7NbP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.97293754 _cell_length_b 9.97036818 _cell_length_c 5.04723092 _cell_angle_alpha 90.03716095 _cell_angle_beta 89.92318530 _cell_angle_gamma 89.98874877 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4Ti7NbP4 _chemical_formula_sum 'Ta8 Ti14 Nb2 P8' _cell_volume 501.86508224 _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 Ta Ta0 1 0.39385253 0.91277188 0.46485194 1.0 Ta Ta1 1 0.41259606 0.10524748 0.96514575 1.0 Ta Ta2 1 0.58553761 0.89688943 0.96500534 1.0 Ta Ta3 1 0.60205706 0.08568428 0.46463837 1.0 Ta Ta4 1 0.10635676 0.58731794 0.03390359 1.0 Ta Ta5 1 0.08887112 0.39502886 0.53635694 1.0 Ta Ta6 1 0.91423123 0.60369993 0.53760858 1.0 Ta Ta7 1 0.89750059 0.41276340 0.03971036 1.0 Ti Ti8 1 0.02489476 0.85752200 0.27032988 1.0 Ti Ti9 1 0.35834336 0.47458223 0.77528620 1.0 Ti Ti10 1 0.64309209 0.52458580 0.77324923 1.0 Ti Ti11 1 0.97453274 0.14226901 0.27774576 1.0 Ti Ti12 1 0.47431342 0.64130212 0.22430687 1.0 Ti Ti13 1 0.14170201 0.02686804 0.72529555 1.0 Ti Ti14 1 0.85818191 0.97680385 0.72351826 1.0 Ti Ti15 1 0.52458969 0.35766107 0.22437683 1.0 Ti Ti16 1 0.28359318 0.81704671 0.98588202 1.0 Ti Ti17 1 0.31658049 0.21621543 0.48622324 1.0 Ti Ti18 1 0.68146953 0.78516062 0.48365686 1.0 Ti Ti19 1 0.71444265 0.18197730 0.98369864 1.0 Ti Ti20 1 0.21674697 0.68229089 0.51259355 1.0 Ti Ti21 1 0.18379726 0.28424810 0.01472419 1.0 Nb Nb22 1 0.81626091 0.71574291 0.01367926 1.0 Nb Nb23 1 0.78532218 0.31498499 0.51599574 1.0 P P24 1 0.03856526 0.79773988 0.77679674 1.0 P P25 1 0.29721800 0.46329535 0.28190576 1.0 P P26 1 0.70171971 0.53547075 0.28246383 1.0 P P27 1 0.96660714 0.20274954 0.78761355 1.0 P P28 1 0.46290020 0.70346101 0.71770513 1.0 P P29 1 0.20319893 0.03701208 0.21843012 1.0 P P30 1 0.79620010 0.96510142 0.21838769 1.0 P P31 1 0.53472457 0.29650569 0.71891423 1.0