# generated using pymatgen data_Tm(Al5Fe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68995190 _cell_length_b 6.68995190 _cell_length_c 8.85412943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.37607622 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm(Al5Fe)2 _chemical_formula_sum 'Tm2 Al20 Fe4' _cell_volume 392.99140696 _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 0.87362542 0.12637458 0.75000000 1.0 Tm Tm1 1 0.12637458 0.87362542 0.25000000 1.0 Al Al2 1 0.62580846 0.37419154 0.54889863 1.0 Al Al3 1 0.37419154 0.62580846 0.45110137 1.0 Al Al4 1 0.37419154 0.62580846 0.04889863 1.0 Al Al5 1 0.62580846 0.37419154 0.95110137 1.0 Al Al6 1 0.22748509 0.22748509 0.50000000 1.0 Al Al7 1 0.77251491 0.77251491 0.50000000 1.0 Al Al8 1 0.77251491 0.77251491 0.00000000 1.0 Al Al9 1 0.22748509 0.22748509 0.00000000 1.0 Al Al10 1 0.84229305 0.15770695 0.09675619 1.0 Al Al11 1 0.15770695 0.84229305 0.90324381 1.0 Al Al12 1 0.15770695 0.84229305 0.59675619 1.0 Al Al13 1 0.84229305 0.15770695 0.40324381 1.0 Al Al14 1 0.86610276 0.58501730 0.75000000 1.0 Al Al15 1 0.13389724 0.41498270 0.25000000 1.0 Al Al16 1 0.41498270 0.13389724 0.75000000 1.0 Al Al17 1 0.58501730 0.86610276 0.25000000 1.0 Al Al18 1 0.21916377 0.47831582 0.75000000 1.0 Al Al19 1 0.78083623 0.52168418 0.25000000 1.0 Al Al20 1 0.52168418 0.78083623 0.75000000 1.0 Al Al21 1 0.47831582 0.21916377 0.25000000 1.0 Fe Fe22 1 -0.00000000 0.50000000 0.50000000 1.0 Fe Fe23 1 -0.00000000 0.50000000 0.00000000 1.0 Fe Fe24 1 0.50000000 -0.00000000 0.00000000 1.0 Fe Fe25 1 0.50000000 -0.00000000 0.50000000 1.0