# generated using pymatgen data_TbSc2(Ni3P2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68435817 _cell_length_b 10.33488618 _cell_length_c 12.07514942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbSc2(Ni3P2)3 _chemical_formula_sum 'Tb2 Sc4 Ni18 P12' _cell_volume 459.79056463 _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 Tb Tb0 1 0.00000000 0.50000000 0.52407588 1.0 Tb Tb1 1 0.50000000 0.00000000 0.47592412 1.0 Sc Sc2 1 0.50000000 0.81875783 0.20469979 1.0 Sc Sc3 1 0.50000000 0.18124217 0.20469979 1.0 Sc Sc4 1 0.00000000 0.68124217 0.79530021 1.0 Sc Sc5 1 0.00000000 0.31875783 0.79530021 1.0 Ni Ni6 1 0.50000000 0.50000000 0.15840130 1.0 Ni Ni7 1 0.00000000 0.00000000 0.84159870 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70376811 1.0 Ni Ni9 1 0.00000000 0.00000000 0.29623189 1.0 Ni Ni10 1 0.00000000 0.50000000 0.98660022 1.0 Ni Ni11 1 0.50000000 0.00000000 0.01339978 1.0 Ni Ni12 1 0.50000000 0.33282735 0.99632947 1.0 Ni Ni13 1 0.50000000 0.66717265 0.99632947 1.0 Ni Ni14 1 0.00000000 0.16717265 0.00367053 1.0 Ni Ni15 1 0.00000000 0.83282735 0.00367053 1.0 Ni Ni16 1 0.50000000 0.30036827 0.42799817 1.0 Ni Ni17 1 0.50000000 0.69963173 0.42799817 1.0 Ni Ni18 1 0.00000000 0.19963173 0.57200183 1.0 Ni Ni19 1 0.00000000 0.80036827 0.57200183 1.0 Ni Ni20 1 0.50000000 0.87679828 0.71248219 1.0 Ni Ni21 1 0.50000000 0.12320172 0.71248219 1.0 Ni Ni22 1 0.00000000 0.62320172 0.28751781 1.0 Ni Ni23 1 0.00000000 0.37679828 0.28751781 1.0 P P24 1 0.50000000 0.50000000 0.87766759 1.0 P P25 1 0.00000000 0.00000000 0.12233241 1.0 P P26 1 0.50000000 0.50000000 0.34421644 1.0 P P27 1 0.00000000 0.00000000 0.65578356 1.0 P P28 1 0.50000000 0.31369836 0.61839242 1.0 P P29 1 0.50000000 0.68630164 0.61839242 1.0 P P30 1 0.00000000 0.18630164 0.38160758 1.0 P P31 1 0.00000000 0.81369836 0.38160758 1.0 P P32 1 0.50000000 0.84285999 0.89080499 1.0 P P33 1 0.50000000 0.15714001 0.89080499 1.0 P P34 1 0.00000000 0.65714001 0.10919501 1.0 P P35 1 0.00000000 0.34285999 0.10919501 1.0