# generated using pymatgen data_Er5Cr3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.47259061 _cell_length_b 12.47259049 _cell_length_c 3.96159706 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000555 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Cr3(P3Ir4)4 _chemical_formula_sum 'Er5 Cr3 P12 Ir16' _cell_volume 533.72093690 _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 Er Er0 1 0.66666700 0.33333300 0.00000000 1.0 Er Er1 1 0.33333300 0.66666700 0.00000000 1.0 Er Er2 1 0.81843631 0.81843631 0.50000000 1.0 Er Er3 1 0.18156369 1.00000000 0.50000000 1.0 Er Er4 1 1.00000000 0.18156369 0.50000000 1.0 Cr Cr5 1 0.29288610 0.29288610 0.50000000 1.0 Cr Cr6 1 0.70711390 1.00000000 0.50000000 1.0 Cr Cr7 1 1.00000000 0.70711390 0.50000000 1.0 P P8 1 0.69020584 0.16742544 0.50000000 1.0 P P9 1 0.83257456 0.52278039 0.50000000 1.0 P P10 1 0.47721961 0.30979416 0.50000000 1.0 P P11 1 0.16742544 0.69020584 0.50000000 1.0 P P12 1 0.52278039 0.83257456 0.50000000 1.0 P P13 1 0.30979416 0.47721961 0.50000000 1.0 P P14 1 0.64038800 0.64038800 0.00000000 1.0 P P15 1 0.35961200 0.00000000 0.00000000 1.0 P P16 1 0.00000000 0.35961200 0.00000000 1.0 P P17 1 0.18208376 0.18208376 0.00000000 1.0 P P18 1 0.81791624 0.00000000 0.00000000 1.0 P P19 1 0.00000000 0.81791624 0.00000000 1.0 Ir Ir20 1 0.80615805 0.18060769 0.00000000 1.0 Ir Ir21 1 0.81939231 0.62555136 0.00000000 1.0 Ir Ir22 1 0.37444864 0.19384195 0.00000000 1.0 Ir Ir23 1 0.18060769 0.80615805 0.00000000 1.0 Ir Ir24 1 0.62555136 0.81939231 0.00000000 1.0 Ir Ir25 1 0.19384195 0.37444864 0.00000000 1.0 Ir Ir26 1 0.45516310 0.45516310 0.00000000 1.0 Ir Ir27 1 0.54483690 1.00000000 0.00000000 1.0 Ir Ir28 1 1.00000000 0.54483690 0.00000000 1.0 Ir Ir29 1 0.86853340 0.36214446 0.50000000 1.0 Ir Ir30 1 0.63785554 0.50638994 0.50000000 1.0 Ir Ir31 1 0.49361006 0.13146660 0.50000000 1.0 Ir Ir32 1 0.36214446 0.86853340 0.50000000 1.0 Ir Ir33 1 0.50638994 0.63785554 0.50000000 1.0 Ir Ir34 1 0.13146660 0.49361006 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0