# generated using pymatgen data_TmCo4TcP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66897627 _cell_length_b 10.21782353 _cell_length_c 11.68777448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmCo4TcP3 _chemical_formula_sum 'Tm4 Co16 Tc4 P12' _cell_volume 438.16241733 _cell_formula_units_Z 4 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 Tm Tm0 1 0.25000000 0.58326183 0.70479252 1.0 Tm Tm1 1 0.25000000 0.91673817 0.20479252 1.0 Tm Tm2 1 0.75000000 0.41673817 0.29520748 1.0 Tm Tm3 1 0.75000000 0.08326183 0.79520748 1.0 Co Co4 1 0.25000000 0.40737840 0.48780822 1.0 Co Co5 1 0.25000000 0.09262160 0.98780822 1.0 Co Co6 1 0.75000000 0.59262160 0.51219178 1.0 Co Co7 1 0.75000000 0.90737840 0.01219178 1.0 Co Co8 1 0.25000000 0.22240452 0.17571418 1.0 Co Co9 1 0.25000000 0.27759548 0.67571418 1.0 Co Co10 1 0.75000000 0.77759548 0.82428582 1.0 Co Co11 1 0.75000000 0.72240452 0.32428582 1.0 Co Co12 1 0.25000000 0.88479881 0.70314283 1.0 Co Co13 1 0.25000000 0.61520119 0.20314283 1.0 Co Co14 1 0.75000000 0.11520119 0.29685717 1.0 Co Co15 1 0.75000000 0.38479881 0.79685717 1.0 Co Co16 1 0.25000000 0.46392922 0.93114325 1.0 Co Co17 1 0.25000000 0.03607078 0.43114325 1.0 Co Co18 1 0.75000000 0.53607078 0.06885675 1.0 Co Co19 1 0.75000000 0.96392922 0.56885675 1.0 Tc Tc20 1 0.25000000 0.71134350 0.98999718 1.0 Tc Tc21 1 0.25000000 0.78865650 0.48999718 1.0 Tc Tc22 1 0.75000000 0.28865650 0.01000282 1.0 Tc Tc23 1 0.75000000 0.21134350 0.51000282 1.0 P P24 1 0.25000000 0.42150984 0.11363196 1.0 P P25 1 0.25000000 0.07849016 0.61363196 1.0 P P26 1 0.75000000 0.57849016 0.88636804 1.0 P P27 1 0.75000000 0.92150984 0.38636804 1.0 P P28 1 0.25000000 0.26889968 0.86429098 1.0 P P29 1 0.25000000 0.23110032 0.36429098 1.0 P P30 1 0.75000000 0.73110032 0.13570902 1.0 P P31 1 0.75000000 0.76889968 0.63570902 1.0 P P32 1 0.25000000 0.59631343 0.39068772 1.0 P P33 1 0.25000000 0.90368657 0.89068772 1.0 P P34 1 0.75000000 0.40368657 0.60931228 1.0 P P35 1 0.75000000 0.09631343 0.10931228 1.0