# generated using pymatgen data_Tm5Zr3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.81425099 _cell_length_b 12.81425044 _cell_length_c 3.93377924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000144 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Zr3(P3Ir4)4 _chemical_formula_sum 'Tm5 Zr3 P12 Ir16' _cell_volume 559.40590043 _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 0.81692712 0.00000000 0.50000000 1.0 Tm Tm3 1 0.00000000 0.81692712 0.50000000 1.0 Tm Tm4 1 0.18307288 0.18307288 0.50000000 1.0 Zr Zr5 1 0.44891199 0.00000000 0.00000000 1.0 Zr Zr6 1 1.00000000 0.44891199 0.00000000 1.0 Zr Zr7 1 0.55108801 0.55108801 0.00000000 1.0 P P8 1 0.17466911 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17466911 0.00000000 1.0 P P10 1 0.82533089 0.82533089 0.00000000 1.0 P P11 1 0.17088392 0.48243999 0.50000000 1.0 P P12 1 0.51756001 0.68844293 0.50000000 1.0 P P13 1 0.31155707 0.82911608 0.50000000 1.0 P P14 1 0.68844293 0.51756001 0.50000000 1.0 P P15 1 0.82911608 0.31155707 0.50000000 1.0 P P16 1 0.48243999 0.17088392 0.50000000 1.0 P P17 1 0.65217467 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.65217467 0.00000000 1.0 P P19 1 0.34782533 0.34782533 0.00000000 1.0 Ir Ir20 1 0.35861445 0.49571263 0.50000000 1.0 Ir Ir21 1 0.50428737 0.86290182 0.50000000 1.0 Ir Ir22 1 0.13709818 0.64138555 0.50000000 1.0 Ir Ir23 1 0.86290182 0.50428737 0.50000000 1.0 Ir Ir24 1 0.64138555 0.13709818 0.50000000 1.0 Ir Ir25 1 0.49571263 0.35861445 0.50000000 1.0 Ir Ir26 1 0.17831961 0.37003780 0.00000000 1.0 Ir Ir27 1 0.62996220 0.80828281 0.00000000 1.0 Ir Ir28 1 0.19171719 0.82168039 0.00000000 1.0 Ir Ir29 1 0.80828281 0.62996220 0.00000000 1.0 Ir Ir30 1 0.82168039 0.19171719 0.00000000 1.0 Ir Ir31 1 0.37003780 0.17831961 0.00000000 1.0 Ir Ir32 1 0.27798904 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.27798904 0.50000000 1.0 Ir Ir34 1 0.72201096 0.72201096 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0