# generated using pymatgen data_Hf5Co16(TcP4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.72977275 _cell_length_b 11.72977390 _cell_length_c 3.61699883 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999398 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Co16(TcP4)3 _chemical_formula_sum 'Hf5 Co16 Tc3 P12' _cell_volume 430.98113996 _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 Hf Hf0 1 0.66666700 0.33333300 0.00000000 1.0 Hf Hf1 1 0.33333300 0.66666700 0.00000000 1.0 Hf Hf2 1 0.82088501 0.82088501 0.50000000 1.0 Hf Hf3 1 0.17911499 0.00000000 0.50000000 1.0 Hf Hf4 1 0.00000000 0.17911499 0.50000000 1.0 Co Co5 1 0.19401017 0.37371976 0.00000000 1.0 Co Co6 1 0.17970959 0.80598983 0.00000000 1.0 Co Co7 1 0.82029041 0.62628024 0.00000000 1.0 Co Co8 1 0.80598983 0.17970959 0.00000000 1.0 Co Co9 1 0.37371976 0.19401017 0.00000000 1.0 Co Co10 1 0.12899919 0.48445207 0.50000000 1.0 Co Co11 1 0.35545188 0.87100081 0.50000000 1.0 Co Co12 1 0.51554793 0.64454812 0.50000000 1.0 Co Co13 1 0.64454812 0.51554793 0.50000000 1.0 Co Co14 1 0.87100081 0.35545188 0.50000000 1.0 Co Co15 1 0.48445207 0.12899919 0.50000000 1.0 Co Co16 1 0.00000000 0.00000000 0.00000000 1.0 Co Co17 1 0.71928950 0.00000000 0.50000000 1.0 Co Co18 1 0.00000000 0.71928950 0.50000000 1.0 Co Co19 1 0.62628024 0.82029041 0.00000000 1.0 Co Co20 1 0.28071050 0.28071050 0.50000000 1.0 Tc Tc21 1 0.44667928 0.44667928 0.00000000 1.0 Tc Tc22 1 0.55332072 1.00000000 0.00000000 1.0 Tc Tc23 1 1.00000000 0.55332072 0.00000000 1.0 P P24 1 0.64187512 0.64187512 0.00000000 1.0 P P25 1 0.35812488 0.00000000 0.00000000 1.0 P P26 1 0.00000000 0.35812488 0.00000000 1.0 P P27 1 0.48158136 0.31461305 0.50000000 1.0 P P28 1 0.68538695 0.16696932 0.50000000 1.0 P P29 1 0.83303068 0.51841864 0.50000000 1.0 P P30 1 0.51841864 0.83303068 0.50000000 1.0 P P31 1 0.16696932 0.68538695 0.50000000 1.0 P P32 1 0.82374457 0.00000000 0.00000000 1.0 P P33 1 0.00000000 0.82374457 0.00000000 1.0 P P34 1 0.31461305 0.48158136 0.50000000 1.0 P P35 1 0.17625543 0.17625543 0.00000000 1.0