# generated using pymatgen data_Tm5Tc3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.55394974 _cell_length_b 12.55394981 _cell_length_c 3.94868383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999983 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Tc3(P3Ir4)4 _chemical_formula_sum 'Tm5 Tc3 P12 Ir16' _cell_volume 538.94415689 _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 0.81903912 0.00000000 0.50000000 1.0 Tm Tm3 1 1.00000000 0.81903912 0.50000000 1.0 Tm Tm4 1 0.18096088 0.18096088 0.50000000 1.0 Tc Tc5 1 0.45610997 0.00000000 0.00000000 1.0 Tc Tc6 1 1.00000000 0.45610997 0.00000000 1.0 Tc Tc7 1 0.54389003 0.54389003 0.00000000 1.0 P P8 1 0.17551329 0.00000000 0.00000000 1.0 P P9 1 0.00000000 0.17551329 0.00000000 1.0 P P10 1 0.82448671 0.82448671 0.00000000 1.0 P P11 1 0.16987164 0.48517561 0.50000000 1.0 P P12 1 0.51482439 0.68469503 0.50000000 1.0 P P13 1 0.31530497 0.83012836 0.50000000 1.0 P P14 1 0.68469503 0.51482439 0.50000000 1.0 P P15 1 0.83012836 0.31530497 0.50000000 1.0 P P16 1 0.48517561 0.16987164 0.50000000 1.0 P P17 1 0.63984375 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.63984375 0.00000000 1.0 P P19 1 0.36015625 0.36015625 0.00000000 1.0 Ir Ir20 1 0.35766216 0.49046390 0.50000000 1.0 Ir Ir21 1 0.50953610 0.86719826 0.50000000 1.0 Ir Ir22 1 0.13280174 0.64233784 0.50000000 1.0 Ir Ir23 1 0.86719826 0.50953610 0.50000000 1.0 Ir Ir24 1 0.64233784 0.13280174 0.50000000 1.0 Ir Ir25 1 0.49046390 0.35766216 0.50000000 1.0 Ir Ir26 1 0.17881160 0.37165352 0.00000000 1.0 Ir Ir27 1 0.62834648 0.80715908 0.00000000 1.0 Ir Ir28 1 0.19284092 0.82118840 0.00000000 1.0 Ir Ir29 1 0.80715908 0.62834648 0.00000000 1.0 Ir Ir30 1 0.82118840 0.19284092 0.00000000 1.0 Ir Ir31 1 0.37165352 0.17881160 0.00000000 1.0 Ir Ir32 1 0.29221269 0.00000000 0.50000000 1.0 Ir Ir33 1 1.00000000 0.29221269 0.50000000 1.0 Ir Ir34 1 0.70778731 0.70778731 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0