# generated using pymatgen data_Th5Ta3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.79062775 _cell_length_b 12.79062794 _cell_length_c 4.05723099 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999697 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th5Ta3(P3Ir4)4 _chemical_formula_sum 'Th5 Ta3 P12 Ir16' _cell_volume 574.83619313 _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 0.50000000 1.0 Th Th1 1 0.66666700 0.33333300 0.50000000 1.0 Th Th2 1 0.00000000 0.81426750 0.00000000 1.0 Th Th3 1 0.18573250 0.18573250 0.00000000 1.0 Th Th4 1 0.81426750 0.00000000 0.00000000 1.0 Ta Ta5 1 1.00000000 0.45281020 0.50000000 1.0 Ta Ta6 1 0.54718980 0.54718980 0.50000000 1.0 Ta Ta7 1 0.45281020 1.00000000 0.50000000 1.0 P P8 1 0.00000000 0.63719393 0.50000000 1.0 P P9 1 0.36280607 0.36280607 0.50000000 1.0 P P10 1 0.63719393 0.00000000 0.50000000 1.0 P P11 1 0.51947850 0.68436950 0.00000000 1.0 P P12 1 0.31563050 0.83510900 0.00000000 1.0 P P13 1 0.16489100 0.48052150 0.00000000 1.0 P P14 1 0.48052150 0.16489100 0.00000000 1.0 P P15 1 0.68436950 0.51947850 0.00000000 1.0 P P16 1 0.83510900 0.31563050 0.00000000 1.0 P P17 1 1.00000000 0.17774421 0.50000000 1.0 P P18 1 0.82225579 0.82225579 0.50000000 1.0 P P19 1 0.17774421 1.00000000 0.50000000 1.0 Ir Ir20 1 0.50795228 0.86568252 0.00000000 1.0 Ir Ir21 1 0.13431748 0.64227176 0.00000000 1.0 Ir Ir22 1 0.35772824 0.49204772 0.00000000 1.0 Ir Ir23 1 0.49204772 0.35772824 0.00000000 1.0 Ir Ir24 1 0.86568252 0.50795228 0.00000000 1.0 Ir Ir25 1 0.64227176 0.13431748 0.00000000 1.0 Ir Ir26 1 1.00000000 0.28632535 0.00000000 1.0 Ir Ir27 1 0.71367465 0.71367465 0.00000000 1.0 Ir Ir28 1 0.28632535 1.00000000 0.00000000 1.0 Ir Ir29 1 0.62655950 0.80416113 0.50000000 1.0 Ir Ir30 1 0.19583887 0.82239837 0.50000000 1.0 Ir Ir31 1 0.17760163 0.37344050 0.50000000 1.0 Ir Ir32 1 0.37344050 0.17760163 0.50000000 1.0 Ir Ir33 1 0.80416113 0.62655950 0.50000000 1.0 Ir Ir34 1 0.82239837 0.19583887 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0