# generated using pymatgen data_Nb5Co16(TcP4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.68110648 _cell_length_b 11.68110715 _cell_length_c 3.59972304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999810 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb5Co16(TcP4)3 _chemical_formula_sum 'Nb5 Co16 Tc3 P12' _cell_volume 425.37084335 _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 Nb Nb0 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb1 1 0.33333300 0.66666700 0.00000000 1.0 Nb Nb2 1 0.82320251 0.82320251 0.50000000 1.0 Nb Nb3 1 0.17679749 0.00000000 0.50000000 1.0 Nb Nb4 1 0.00000000 0.17679749 0.50000000 1.0 Co Co5 1 0.19255957 0.37313468 0.00000000 1.0 Co Co6 1 0.18057511 0.80744043 0.00000000 1.0 Co Co7 1 0.81942489 0.62686532 0.00000000 1.0 Co Co8 1 0.80744043 0.18057511 0.00000000 1.0 Co Co9 1 0.37313468 0.19255957 0.00000000 1.0 Co Co10 1 0.12942014 0.48481756 0.50000000 1.0 Co Co11 1 0.35539841 0.87057986 0.50000000 1.0 Co Co12 1 0.51518244 0.64460159 0.50000000 1.0 Co Co13 1 0.64460159 0.51518244 0.50000000 1.0 Co Co14 1 0.87057986 0.35539841 0.50000000 1.0 Co Co15 1 0.48481756 0.12942014 0.50000000 1.0 Co Co16 1 0.00000000 0.00000000 0.00000000 1.0 Co Co17 1 0.72164850 0.00000000 0.50000000 1.0 Co Co18 1 0.00000000 0.72164850 0.50000000 1.0 Co Co19 1 0.62686532 0.81942489 0.00000000 1.0 Co Co20 1 0.27835150 0.27835150 0.50000000 1.0 Tc Tc21 1 0.44766530 0.44766530 0.00000000 1.0 Tc Tc22 1 0.55233470 0.00000000 0.00000000 1.0 Tc Tc23 1 1.00000000 0.55233470 0.00000000 1.0 P P24 1 0.64216271 0.64216271 0.00000000 1.0 P P25 1 0.35783729 0.00000000 0.00000000 1.0 P P26 1 1.00000000 0.35783729 0.00000000 1.0 P P27 1 0.48184788 0.31464116 0.50000000 1.0 P P28 1 0.68535884 0.16720672 0.50000000 1.0 P P29 1 0.83279328 0.51815212 0.50000000 1.0 P P30 1 0.51815212 0.83279328 0.50000000 1.0 P P31 1 0.16720672 0.68535884 0.50000000 1.0 P P32 1 0.82333434 0.00000000 0.00000000 1.0 P P33 1 0.00000000 0.82333434 0.00000000 1.0 P P34 1 0.31464116 0.48184788 0.50000000 1.0 P P35 1 0.17666566 0.17666566 0.00000000 1.0