# generated using pymatgen data_Er3Mn(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92727686 _cell_length_b 11.17381183 _cell_length_c 12.44532060 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3Mn(P3Ir4)2 _chemical_formula_sum 'Er6 Mn2 P12 Ir16' _cell_volume 546.13368136 _cell_formula_units_Z 2 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 Er Er0 1 0.00000000 0.50000000 0.52385607 1.0 Er Er1 1 0.50000000 0.00000000 0.47614393 1.0 Er Er2 1 0.50000000 0.82312460 0.20126181 1.0 Er Er3 1 0.50000000 0.17687540 0.20126181 1.0 Er Er4 1 0.00000000 0.67687540 0.79873819 1.0 Er Er5 1 0.00000000 0.32312460 0.79873819 1.0 Mn Mn6 1 0.00000000 0.50000000 0.00040782 1.0 Mn Mn7 1 0.50000000 0.00000000 0.99959218 1.0 P P8 1 0.50000000 0.50000000 0.88381094 1.0 P P9 1 0.00000000 0.00000000 0.11618906 1.0 P P10 1 0.50000000 0.50000000 0.35606060 1.0 P P11 1 0.00000000 0.00000000 0.64393940 1.0 P P12 1 0.50000000 0.31521330 0.62038219 1.0 P P13 1 0.50000000 0.68478670 0.62038219 1.0 P P14 1 0.00000000 0.18478670 0.37961781 1.0 P P15 1 0.00000000 0.81521330 0.37961781 1.0 P P16 1 0.50000000 0.84395651 0.89672738 1.0 P P17 1 0.50000000 0.15604349 0.89672738 1.0 P P18 1 0.00000000 0.65604349 0.10327262 1.0 P P19 1 0.00000000 0.34395651 0.10327262 1.0 Ir Ir20 1 0.50000000 0.50000000 0.16938802 1.0 Ir Ir21 1 0.00000000 0.00000000 0.83061198 1.0 Ir Ir22 1 0.50000000 0.50000000 0.70002500 1.0 Ir Ir23 1 0.00000000 0.00000000 0.29997500 1.0 Ir Ir24 1 0.50000000 0.33605845 0.99229348 1.0 Ir Ir25 1 0.50000000 0.66394155 0.99229348 1.0 Ir Ir26 1 0.00000000 0.16394155 0.00770652 1.0 Ir Ir27 1 0.00000000 0.83605845 0.00770652 1.0 Ir Ir28 1 0.50000000 0.29702179 0.42925359 1.0 Ir Ir29 1 0.50000000 0.70297821 0.42925359 1.0 Ir Ir30 1 0.00000000 0.20297821 0.57074641 1.0 Ir Ir31 1 0.00000000 0.79702179 0.57074641 1.0 Ir Ir32 1 0.50000000 0.86936508 0.71592931 1.0 Ir Ir33 1 0.50000000 0.13063492 0.71592931 1.0 Ir Ir34 1 0.00000000 0.63063492 0.28407069 1.0 Ir Ir35 1 0.00000000 0.36936508 0.28407069 1.0