# generated using pymatgen data_Sc2Al9TcNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29312395 _cell_length_b 7.29312425 _cell_length_c 9.11799437 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.61052842 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Al9TcNi2 _chemical_formula_sum 'Sc4 Al18 Tc2 Ni4' _cell_volume 429.75238596 _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 0.99164625 0.69191672 0.25000000 1.0 Sc Sc1 1 0.00835375 0.30808328 0.75000000 1.0 Sc Sc2 1 0.69191672 0.99164625 0.25000000 1.0 Sc Sc3 1 0.30808328 0.00835375 0.75000000 1.0 Al Al4 1 0.99678744 0.34300098 0.07732742 1.0 Al Al5 1 0.00321256 0.65699902 0.92267258 1.0 Al Al6 1 0.00321256 0.65699902 0.57732742 1.0 Al Al7 1 0.34300098 0.99678744 0.42267258 1.0 Al Al8 1 0.99678744 0.34300098 0.42267258 1.0 Al Al9 1 0.65699902 0.00321256 0.57732742 1.0 Al Al10 1 0.65699902 0.00321256 0.92267258 1.0 Al Al11 1 0.34300098 0.99678744 0.07732742 1.0 Al Al12 1 0.34555932 0.57221832 0.25000000 1.0 Al Al13 1 0.65444068 0.42778168 0.75000000 1.0 Al Al14 1 0.57221832 0.34555932 0.25000000 1.0 Al Al15 1 0.42778168 0.65444068 0.75000000 1.0 Al Al16 1 0.33303452 0.33303452 0.54333121 1.0 Al Al17 1 0.66696548 0.66696548 0.45666879 1.0 Al Al18 1 0.66696548 0.66696548 0.04333121 1.0 Al Al19 1 0.33303452 0.33303452 0.95666879 1.0 Al Al20 1 0.13955234 0.13955234 0.25000000 1.0 Al Al21 1 0.86044766 0.86044766 0.75000000 1.0 Tc Tc22 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc23 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni24 1 0.67130770 0.32869230 0.00000000 1.0 Ni Ni25 1 0.32869230 0.67130770 0.00000000 1.0 Ni Ni26 1 0.32869230 0.67130770 0.50000000 1.0 Ni Ni27 1 0.67130770 0.32869230 0.50000000 1.0