# generated using pymatgen data_Tm2Ta(TiSi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97450335 _cell_length_b 6.79662953 _cell_length_c 6.96376244 _cell_angle_alpha 71.27622191 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Ta(TiSi2)2 _chemical_formula_sum 'Tm4 Ta2 Ti4 Si8' _cell_volume 312.63398522 _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 Tm Tm0 1 0.33001199 0.56727757 0.81018228 1.0 Tm Tm1 1 0.83001199 0.93272243 0.18981772 1.0 Tm Tm2 1 0.66998801 0.43272243 0.18981772 1.0 Tm Tm3 1 0.16998801 0.06727757 0.81018228 1.0 Ta Ta4 1 0.50000000 0.00000000 0.50000000 1.0 Ta Ta5 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti6 1 0.82305664 0.74939984 0.74329433 1.0 Ti Ti7 1 0.32305664 0.75060016 0.25670567 1.0 Ti Ti8 1 0.17694336 0.25060016 0.25670567 1.0 Ti Ti9 1 0.67694336 0.24939984 0.74329433 1.0 Si Si10 1 0.53725115 0.87066577 0.91536243 1.0 Si Si11 1 0.03725115 0.62933423 0.08463757 1.0 Si Si12 1 0.46274885 0.12933423 0.08463757 1.0 Si Si13 1 0.96274885 0.37066577 0.91536243 1.0 Si Si14 1 0.12513538 0.87105837 0.50491970 1.0 Si Si15 1 0.62513538 0.62894163 0.49508030 1.0 Si Si16 1 0.87486462 0.12894163 0.49508030 1.0 Si Si17 1 0.37486462 0.37105837 0.50491970 1.0