# generated using pymatgen data_TiNb(As2Pd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81171857 _cell_length_b 3.53538488 _cell_length_c 12.94882515 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNb(As2Pd)2 _chemical_formula_sum 'Ti2 Nb2 As8 Pd4' _cell_volume 266.05513296 _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 Ti Ti0 1 0.98306746 0.75000100 0.16969355 1.0 Ti Ti1 1 0.48306646 0.75000100 0.33030645 1.0 Nb Nb2 1 0.51040988 0.24999900 0.66990860 1.0 Nb Nb3 1 0.01040988 0.24999900 0.83009240 1.0 As As4 1 0.17514734 0.24999900 0.03868908 1.0 As As5 1 0.66829653 0.24999900 0.20743612 1.0 As As6 1 0.16829653 0.24999900 0.29256388 1.0 As As7 1 0.67514734 0.24999900 0.46131092 1.0 As As8 1 0.32715163 0.75000100 0.53325235 1.0 As As9 1 0.83842321 0.75000100 0.70024559 1.0 As As10 1 0.33842321 0.75000100 0.79975541 1.0 As As11 1 0.82715163 0.75000100 0.96674765 1.0 Pd Pd12 1 0.47676033 0.75000100 0.09315010 1.0 Pd Pd13 1 0.97676033 0.75000100 0.40684990 1.0 Pd Pd14 1 0.02074561 0.24999900 0.58953295 1.0 Pd Pd15 1 0.52074561 0.24999900 0.91046805 1.0