# generated using pymatgen data_Th2V3P7Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53565255 _cell_length_b 9.53565209 _cell_length_c 3.97332239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999477 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2V3P7Ir9 _chemical_formula_sum 'Th2 V3 P7 Ir9' _cell_volume 312.88538312 _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 V V2 1 0.79321883 0.24222521 0.50000000 1.0 V V3 1 0.75777479 0.55099462 0.50000000 1.0 V V4 1 0.44900538 0.20678117 0.50000000 1.0 P P5 1 0.77972132 0.03839610 0.00000000 1.0 P P6 1 0.96160390 0.74132521 0.00000000 1.0 P P7 1 0.25867479 0.22027868 0.00000000 1.0 P P8 1 0.37953432 0.93805737 0.50000000 1.0 P P9 1 0.06194263 0.44147796 0.50000000 1.0 P P10 1 0.55852204 0.62046568 0.50000000 1.0 P P11 1 0.66666700 0.33333300 0.00000000 1.0 Ir Ir12 1 0.03306605 0.26061222 0.00000000 1.0 Ir Ir13 1 0.73938778 0.77245283 0.00000000 1.0 Ir Ir14 1 0.22754717 0.96693395 0.00000000 1.0 Ir Ir15 1 0.55489679 0.06373472 0.00000000 1.0 Ir Ir16 1 0.93626528 0.49116307 0.00000000 1.0 Ir Ir17 1 0.50883693 0.44510321 0.00000000 1.0 Ir Ir18 1 0.61155965 0.89202430 0.50000000 1.0 Ir Ir19 1 0.10797570 0.71953335 0.50000000 1.0 Ir Ir20 1 0.28046665 0.38844035 0.50000000 1.0