# generated using pymatgen data_TmNb(SiTc)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38525217 _cell_length_b 6.99644508 _cell_length_c 12.12114805 _cell_angle_alpha 89.57819560 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmNb(SiTc)2 _chemical_formula_sum 'Tm3 Nb3 Si6 Tc6' _cell_volume 287.07835002 _cell_formula_units_Z 3 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 0.50000000 0.30202116 0.29882534 1.0 Tm Tm1 1 0.50000000 0.29501053 0.70107929 1.0 Tm Tm2 1 0.50000000 0.80433853 0.20180105 1.0 Nb Nb3 1 0.50000000 0.40294755 0.99388538 1.0 Nb Nb4 1 0.50000000 0.89795545 0.50720572 1.0 Nb Nb5 1 0.50000000 0.79504560 0.79962618 1.0 Si Si6 1 0.00000000 0.98880641 0.66887425 1.0 Si Si7 1 0.00000000 0.49874142 0.15426111 1.0 Si Si8 1 0.00000000 0.50380596 0.83388803 1.0 Si Si9 1 0.00000000 0.99622228 0.34594398 1.0 Si Si10 1 0.50000000 0.00463759 0.99783427 1.0 Si Si11 1 0.50000000 0.49978668 0.50025078 1.0 Tc Tc12 1 0.00000000 0.74466954 0.99157113 1.0 Tc Tc13 1 0.00000000 0.23919157 0.50379042 1.0 Tc Tc14 1 0.00000000 0.63149689 0.62884710 1.0 Tc Tc15 1 0.00000000 0.13750921 0.11787264 1.0 Tc Tc16 1 0.00000000 0.12173443 0.87259882 1.0 Tc Tc17 1 0.00000000 0.63627520 0.38184350 1.0