# generated using pymatgen data_Tm5Hf3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.79297831 _cell_length_b 12.79297805 _cell_length_c 3.92343753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000066 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Hf3(P3Ir4)4 _chemical_formula_sum 'Tm5 Hf3 P12 Ir16' _cell_volume 556.08437090 _cell_formula_units_Z 1 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 0.33333300 0.66666700 0.00000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.00000000 1.0 Tm Tm2 1 0.81697135 0.00000000 0.50000000 1.0 Tm Tm3 1 0.00000000 0.81697135 0.50000000 1.0 Tm Tm4 1 0.18302865 0.18302865 0.50000000 1.0 Hf Hf5 1 0.44937828 0.00000000 0.00000000 1.0 Hf Hf6 1 1.00000000 0.44937828 0.00000000 1.0 Hf Hf7 1 0.55062172 0.55062172 0.00000000 1.0 P P8 1 0.17438308 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17438308 0.00000000 1.0 P P10 1 0.82561692 0.82561692 0.00000000 1.0 P P11 1 0.17072149 0.48259450 0.50000000 1.0 P P12 1 0.51740550 0.68812599 0.50000000 1.0 P P13 1 0.31187401 0.82927851 0.50000000 1.0 P P14 1 0.68812599 0.51740550 0.50000000 1.0 P P15 1 0.82927851 0.31187401 0.50000000 1.0 P P16 1 0.48259450 0.17072149 0.50000000 1.0 P P17 1 0.65235560 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.65235560 0.00000000 1.0 P P19 1 0.34764440 0.34764440 0.00000000 1.0 Ir Ir20 1 0.35965580 0.49571391 0.50000000 1.0 Ir Ir21 1 0.50428609 0.86394188 0.50000000 1.0 Ir Ir22 1 0.13605812 0.64034420 0.50000000 1.0 Ir Ir23 1 0.86394188 0.50428609 0.50000000 1.0 Ir Ir24 1 0.64034420 0.13605812 0.50000000 1.0 Ir Ir25 1 0.49571391 0.35965580 0.50000000 1.0 Ir Ir26 1 0.17788930 0.37042657 0.00000000 1.0 Ir Ir27 1 0.62957343 0.80746373 0.00000000 1.0 Ir Ir28 1 0.19253627 0.82211070 0.00000000 1.0 Ir Ir29 1 0.80746373 0.62957343 0.00000000 1.0 Ir Ir30 1 0.82211070 0.19253627 0.00000000 1.0 Ir Ir31 1 0.37042657 0.17788930 0.00000000 1.0 Ir Ir32 1 0.28053515 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28053515 0.50000000 1.0 Ir Ir34 1 0.71946485 0.71946485 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0