# generated using pymatgen data_Sc3Tc(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64461504 _cell_length_b 10.34829222 _cell_length_c 12.06875153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Tc(Ni4P3)2 _chemical_formula_sum 'Sc6 Tc2 Ni16 P12' _cell_volume 455.17949883 _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 Sc Sc0 1 0.00000000 0.50000000 0.52659813 1.0 Sc Sc1 1 0.50000000 0.00000000 0.47340187 1.0 Sc Sc2 1 0.50000000 0.81848166 0.20937027 1.0 Sc Sc3 1 0.50000000 0.18151834 0.20937027 1.0 Sc Sc4 1 0.00000000 0.68151834 0.79062973 1.0 Sc Sc5 1 0.00000000 0.31848166 0.79062973 1.0 Tc Tc6 1 0.50000000 0.50000000 0.15777377 1.0 Tc Tc7 1 0.00000000 0.00000000 0.84222623 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70016900 1.0 Ni Ni9 1 0.00000000 0.00000000 0.29983100 1.0 Ni Ni10 1 0.00000000 0.50000000 0.98479064 1.0 Ni Ni11 1 0.50000000 0.00000000 0.01520936 1.0 Ni Ni12 1 0.50000000 0.33123896 0.98488901 1.0 Ni Ni13 1 0.50000000 0.66876104 0.98488901 1.0 Ni Ni14 1 0.00000000 0.16876104 0.01511099 1.0 Ni Ni15 1 0.00000000 0.83123896 0.01511099 1.0 Ni Ni16 1 0.50000000 0.30357244 0.43082007 1.0 Ni Ni17 1 0.50000000 0.69642756 0.43082007 1.0 Ni Ni18 1 0.00000000 0.19642756 0.56917993 1.0 Ni Ni19 1 0.00000000 0.80357244 0.56917993 1.0 Ni Ni20 1 0.50000000 0.87683740 0.70695845 1.0 Ni Ni21 1 0.50000000 0.12316260 0.70695845 1.0 Ni Ni22 1 0.00000000 0.62316260 0.29304155 1.0 Ni Ni23 1 0.00000000 0.37683740 0.29304155 1.0 P P24 1 0.50000000 0.50000000 0.87486791 1.0 P P25 1 0.00000000 0.00000000 0.12513209 1.0 P P26 1 0.50000000 0.50000000 0.35366776 1.0 P P27 1 0.00000000 0.00000000 0.64633224 1.0 P P28 1 0.50000000 0.31677388 0.61608394 1.0 P P29 1 0.50000000 0.68322612 0.61608394 1.0 P P30 1 0.00000000 0.18322612 0.38391606 1.0 P P31 1 0.00000000 0.81677388 0.38391606 1.0 P P32 1 0.50000000 0.84534407 0.88885642 1.0 P P33 1 0.50000000 0.15465593 0.88885642 1.0 P P34 1 0.00000000 0.65465593 0.11114358 1.0 P P35 1 0.00000000 0.34534407 0.11114358 1.0