# generated using pymatgen data_TmSc2(Ni3P2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66645936 _cell_length_b 10.32645243 _cell_length_c 12.03798715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmSc2(Ni3P2)3 _chemical_formula_sum 'Tm2 Sc4 Ni18 P12' _cell_volume 455.77646963 _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 Tm Tm0 1 0.00000000 0.50000000 0.52462694 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47537306 1.0 Sc Sc2 1 0.50000000 0.81934694 0.20533395 1.0 Sc Sc3 1 0.50000000 0.18065306 0.20533395 1.0 Sc Sc4 1 0.00000000 0.68065306 0.79466605 1.0 Sc Sc5 1 0.00000000 0.31934694 0.79466605 1.0 Ni Ni6 1 0.50000000 0.50000000 0.15990340 1.0 Ni Ni7 1 0.00000000 0.00000000 0.84009660 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70251499 1.0 Ni Ni9 1 0.00000000 0.00000000 0.29748501 1.0 Ni Ni10 1 0.00000000 0.50000000 0.98716048 1.0 Ni Ni11 1 0.50000000 0.00000000 0.01283952 1.0 Ni Ni12 1 0.50000000 0.33277709 0.99656378 1.0 Ni Ni13 1 0.50000000 0.66722291 0.99656378 1.0 Ni Ni14 1 0.00000000 0.16722291 0.00343622 1.0 Ni Ni15 1 0.00000000 0.83277709 0.00343622 1.0 Ni Ni16 1 0.50000000 0.30125072 0.42903180 1.0 Ni Ni17 1 0.50000000 0.69874928 0.42903180 1.0 Ni Ni18 1 0.00000000 0.19874928 0.57096820 1.0 Ni Ni19 1 0.00000000 0.80125072 0.57096820 1.0 Ni Ni20 1 0.50000000 0.87660851 0.71118594 1.0 Ni Ni21 1 0.50000000 0.12339149 0.71118594 1.0 Ni Ni22 1 0.00000000 0.62339149 0.28881406 1.0 Ni Ni23 1 0.00000000 0.37660851 0.28881406 1.0 P P24 1 0.50000000 0.50000000 0.87739111 1.0 P P25 1 0.00000000 0.00000000 0.12260889 1.0 P P26 1 0.50000000 0.50000000 0.34671209 1.0 P P27 1 0.00000000 0.00000000 0.65328791 1.0 P P28 1 0.50000000 0.31507702 0.61754080 1.0 P P29 1 0.50000000 0.68492298 0.61754080 1.0 P P30 1 0.00000000 0.18492298 0.38245920 1.0 P P31 1 0.00000000 0.81507702 0.38245920 1.0 P P32 1 0.50000000 0.84269078 0.88999144 1.0 P P33 1 0.50000000 0.15730922 0.88999144 1.0 P P34 1 0.00000000 0.65730922 0.11000856 1.0 P P35 1 0.00000000 0.34269078 0.11000856 1.0