# generated using pymatgen data_HoTc(PIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99567504 _cell_length_b 11.09702231 _cell_length_c 12.61200051 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoTc(PIr)2 _chemical_formula_sum 'Ho6 Tc6 P12 Ir12' _cell_volume 559.21730108 _cell_formula_units_Z 6 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 Ho Ho0 1 0.00000000 0.50000000 0.52308520 1.0 Ho Ho1 1 0.50000000 0.00000000 0.47662638 1.0 Ho Ho2 1 0.50000000 0.81896212 0.20405789 1.0 Ho Ho3 1 0.50000000 0.18103788 0.20405789 1.0 Ho Ho4 1 0.00000000 0.68258488 0.79653677 1.0 Ho Ho5 1 0.00000000 0.31741512 0.79653677 1.0 Tc Tc6 1 0.00000000 0.50000000 0.98783888 1.0 Tc Tc7 1 0.50000000 0.00000000 0.01098995 1.0 Tc Tc8 1 0.50000000 0.29827923 0.43002044 1.0 Tc Tc9 1 0.50000000 0.70172077 0.43002044 1.0 Tc Tc10 1 0.50000000 0.50000000 0.15436776 1.0 Tc Tc11 1 0.00000000 0.00000000 0.84295403 1.0 P P12 1 0.50000000 0.30765914 0.61474247 1.0 P P13 1 0.50000000 0.69234086 0.61474247 1.0 P P14 1 0.00000000 0.19411904 0.38409728 1.0 P P15 1 0.00000000 0.80588096 0.38409728 1.0 P P16 1 0.50000000 0.50000000 0.87439560 1.0 P P17 1 0.00000000 0.00000000 0.12444849 1.0 P P18 1 0.50000000 0.85006196 0.89225454 1.0 P P19 1 0.50000000 0.14993804 0.89225454 1.0 P P20 1 0.00000000 0.64884586 0.10823262 1.0 P P21 1 0.00000000 0.35115414 0.10823262 1.0 P P22 1 0.50000000 0.50000000 0.34232880 1.0 P P23 1 0.00000000 0.00000000 0.65880933 1.0 Ir Ir24 1 0.00000000 0.20047818 0.57263567 1.0 Ir Ir25 1 0.00000000 0.79952182 0.57263567 1.0 Ir Ir26 1 0.50000000 0.87529430 0.71323062 1.0 Ir Ir27 1 0.50000000 0.12470570 0.71323062 1.0 Ir Ir28 1 0.00000000 0.62459359 0.28731187 1.0 Ir Ir29 1 0.00000000 0.37540641 0.28731187 1.0 Ir Ir30 1 0.50000000 0.33008105 0.97757414 1.0 Ir Ir31 1 0.50000000 0.66991895 0.97757414 1.0 Ir Ir32 1 0.00000000 0.17054423 0.02192139 1.0 Ir Ir33 1 0.00000000 0.82945577 0.02192139 1.0 Ir Ir34 1 0.50000000 0.50000000 0.68897105 1.0 Ir Ir35 1 0.00000000 0.00000000 0.30995215 1.0