# generated using pymatgen data_Tm2Zn(PIr2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.62440254 _cell_length_b 9.62440315 _cell_length_c 3.89643790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999634 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Zn(PIr2)6 _chemical_formula_sum 'Tm2 Zn1 P6 Ir12' _cell_volume 312.56906421 _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 0.66666700 0.33333300 0.50000000 1.0 Tm Tm1 1 0.33333300 0.66666700 0.00000000 1.0 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1.0 P P3 1 0.40530350 0.28281169 0.00000000 1.0 P P4 1 0.87751020 0.59469650 0.00000000 1.0 P P5 1 0.71718831 0.12248980 0.00000000 1.0 P P6 1 0.12243047 0.40331839 0.50000000 1.0 P P7 1 0.28088792 0.87756953 0.50000000 1.0 P P8 1 0.59668161 0.71911208 0.50000000 1.0 Ir Ir9 1 0.45762376 0.07270821 0.00000000 1.0 Ir Ir10 1 0.61508445 0.54237624 0.00000000 1.0 Ir Ir11 1 0.92729179 0.38491555 0.00000000 1.0 Ir Ir12 1 0.16799909 0.29469069 0.00000000 1.0 Ir Ir13 1 0.12669160 0.83200091 0.00000000 1.0 Ir Ir14 1 0.70530931 0.87330840 0.00000000 1.0 Ir Ir15 1 0.39217231 0.46052610 0.50000000 1.0 Ir Ir16 1 0.06835379 0.60782769 0.50000000 1.0 Ir Ir17 1 0.53947390 0.93164621 0.50000000 1.0 Ir Ir18 1 0.27768115 0.12196485 0.50000000 1.0 Ir Ir19 1 0.84428370 0.72231885 0.50000000 1.0 Ir Ir20 1 0.87803515 0.15571630 0.50000000 1.0