# generated using pymatgen data_Pa2Mn7P7Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53597081 _cell_length_b 9.42649547 _cell_length_c 3.87674113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.30114327 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Mn7P7Ir5 _chemical_formula_sum 'Pa2 Mn7 P7 Ir5' _cell_volume 300.87542771 _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 Pa Pa0 1 0.33518370 0.65924275 0.00000000 1.0 Pa Pa1 1 0.00393911 0.00391776 0.50000000 1.0 Mn Mn2 1 0.54794190 0.05679213 0.00000000 1.0 Mn Mn3 1 0.94098793 0.49018669 0.00000000 1.0 Mn Mn4 1 0.51251790 0.45812132 0.00000000 1.0 Mn Mn5 1 0.27994320 0.38551547 0.50000000 1.0 Mn Mn6 1 0.78604473 0.22782960 0.50000000 1.0 Mn Mn7 1 0.77051544 0.56473906 0.50000000 1.0 Mn Mn8 1 0.42714858 0.20682615 0.50000000 1.0 P P9 1 0.77487141 0.03468208 0.00000000 1.0 P P10 1 0.97011857 0.74209112 0.00000000 1.0 P P11 1 0.26247977 0.23934344 0.00000000 1.0 P P12 1 0.38496779 0.93582495 0.50000000 1.0 P P13 1 0.08216439 0.44649954 0.50000000 1.0 P P14 1 0.53212513 0.60132897 0.50000000 1.0 P P15 1 0.66319100 0.33403101 0.00000000 1.0 Ir Ir16 1 0.03351053 0.27131335 0.00000000 1.0 Ir Ir17 1 0.74563014 0.77255663 0.00000000 1.0 Ir Ir18 1 0.22951965 0.97464195 0.00000000 1.0 Ir Ir19 1 0.60262387 0.88158904 0.50000000 1.0 Ir Ir20 1 0.11457225 0.71293297 0.50000000 1.0