# generated using pymatgen data_Th2Cr3P7Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.67766271 _cell_length_b 9.67766228 _cell_length_c 3.93447305 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000146 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Cr3P7Ir9 _chemical_formula_sum 'Th2 Cr3 P7 Ir9' _cell_volume 319.12302832 _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 Th Th0 1 0.33333300 0.66666700 0.00000000 1.0 Th Th1 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr2 1 0.79194514 0.22226338 0.50000000 1.0 Cr Cr3 1 0.77773662 0.56968176 0.50000000 1.0 Cr Cr4 1 0.43031824 0.20805486 0.50000000 1.0 P P5 1 0.77706175 0.03088242 0.00000000 1.0 P P6 1 0.96911758 0.74617932 0.00000000 1.0 P P7 1 0.25382068 0.22293825 0.00000000 1.0 P P8 1 0.38646594 0.93516475 0.50000000 1.0 P P9 1 0.06483525 0.45130220 0.50000000 1.0 P P10 1 0.54869780 0.61353406 0.50000000 1.0 P P11 1 0.66666700 0.33333300 0.00000000 1.0 Ir Ir12 1 0.02674064 0.25353539 0.00000000 1.0 Ir Ir13 1 0.74646461 0.77320526 0.00000000 1.0 Ir Ir14 1 0.22679474 0.97325936 0.00000000 1.0 Ir Ir15 1 0.55417724 0.05806912 0.00000000 1.0 Ir Ir16 1 0.94193088 0.49610813 0.00000000 1.0 Ir Ir17 1 0.50389187 0.44582276 0.00000000 1.0 Ir Ir18 1 0.60770493 0.88091169 0.50000000 1.0 Ir Ir19 1 0.11908831 0.72679124 0.50000000 1.0 Ir Ir20 1 0.27320876 0.39229507 0.50000000 1.0