# generated using pymatgen data_Tm2ZrGa5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88966241 _cell_length_b 9.33622161 _cell_length_c 11.14769398 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2ZrGa5 _chemical_formula_sum 'Tm8 Zr4 Ga20' _cell_volume 612.98040567 _cell_formula_units_Z 4 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 0.88518287 0.50792286 0.35269845 1.0 Tm Tm1 1 0.61481713 0.99207714 0.85269845 1.0 Tm Tm2 1 0.11481713 0.00792286 0.64730155 1.0 Tm Tm3 1 0.38518287 0.49207714 0.14730155 1.0 Tm Tm4 1 0.11481713 0.49207714 0.64730155 1.0 Tm Tm5 1 0.38518287 0.00792286 0.14730155 1.0 Tm Tm6 1 0.88518287 0.99207714 0.35269845 1.0 Tm Tm7 1 0.61481713 0.50792286 0.85269845 1.0 Zr Zr8 1 0.85902017 0.75000000 0.07546986 1.0 Zr Zr9 1 0.64097983 0.75000000 0.57546986 1.0 Zr Zr10 1 0.14097983 0.25000000 0.92453014 1.0 Zr Zr11 1 0.35902017 0.25000000 0.42453014 1.0 Ga Ga12 1 0.87392983 0.05338531 0.08934420 1.0 Ga Ga13 1 0.62607017 0.44661469 0.58934420 1.0 Ga Ga14 1 0.12607017 0.55338531 0.91065580 1.0 Ga Ga15 1 0.37392983 0.94661469 0.41065580 1.0 Ga Ga16 1 0.12607017 0.94661469 0.91065580 1.0 Ga Ga17 1 0.37392983 0.55338531 0.41065580 1.0 Ga Ga18 1 0.87392983 0.44661469 0.08934420 1.0 Ga Ga19 1 0.62607017 0.05338531 0.58934420 1.0 Ga Ga20 1 0.16538286 0.75000000 0.25462050 1.0 Ga Ga21 1 0.33461714 0.75000000 0.75462050 1.0 Ga Ga22 1 0.83461714 0.25000000 0.74537950 1.0 Ga Ga23 1 0.66538286 0.25000000 0.24537950 1.0 Ga Ga24 1 0.38622692 0.75000000 0.00439214 1.0 Ga Ga25 1 0.11377308 0.75000000 0.50439214 1.0 Ga Ga26 1 0.61377308 0.25000000 0.99560786 1.0 Ga Ga27 1 0.88622692 0.25000000 0.49560786 1.0 Ga Ga28 1 0.60523413 0.75000000 0.29607300 1.0 Ga Ga29 1 0.89476587 0.75000000 0.79607300 1.0 Ga Ga30 1 0.39476587 0.25000000 0.70392700 1.0 Ga Ga31 1 0.10523413 0.25000000 0.20392700 1.0