# generated using pymatgen data_Er2P3Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.88722604 _cell_length_b 12.88722680 _cell_length_c 3.96507084 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000057 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2P3Ir4 _chemical_formula_sum 'Er8 P12 Ir16' _cell_volume 570.29622629 _cell_formula_units_Z 4 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 0.33333300 0.66666700 0.50000000 1.0 Er Er1 1 0.66666700 0.33333300 0.50000000 1.0 Er Er2 1 0.00000000 0.81491391 0.00000000 1.0 Er Er3 1 0.18508609 0.18508609 0.00000000 1.0 Er Er4 1 0.81491391 1.00000000 0.00000000 1.0 Er Er5 1 0.00000000 0.44538987 0.50000000 1.0 Er Er6 1 0.55461013 0.55461013 0.50000000 1.0 Er Er7 1 0.44538987 1.00000000 0.50000000 1.0 P P8 1 1.00000000 0.65318047 0.50000000 1.0 P P9 1 0.34681953 0.34681953 0.50000000 1.0 P P10 1 0.65318047 0.00000000 0.50000000 1.0 P P11 1 0.51690600 0.69000824 0.00000000 1.0 P P12 1 0.30999176 0.82689776 0.00000000 1.0 P P13 1 0.17310224 0.48309400 0.00000000 1.0 P P14 1 0.48309400 0.17310224 0.00000000 1.0 P P15 1 0.69000824 0.51690600 0.00000000 1.0 P P16 1 0.82689776 0.30999176 0.00000000 1.0 P P17 1 1.00000000 0.17563964 0.50000000 1.0 P P18 1 0.82436036 0.82436036 0.50000000 1.0 P P19 1 0.17563964 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50652998 0.86485722 0.00000000 1.0 Ir Ir21 1 0.13514278 0.64167376 0.00000000 1.0 Ir Ir22 1 0.35832624 0.49347002 0.00000000 1.0 Ir Ir23 1 0.49347002 0.35832624 0.00000000 1.0 Ir Ir24 1 0.86485722 0.50652998 0.00000000 1.0 Ir Ir25 1 0.64167376 0.13514278 0.00000000 1.0 Ir Ir26 1 0.00000000 0.27297730 0.00000000 1.0 Ir Ir27 1 0.72702270 0.72702270 0.00000000 1.0 Ir Ir28 1 0.27297730 1.00000000 0.00000000 1.0 Ir Ir29 1 0.63144081 0.81056435 0.50000000 1.0 Ir Ir30 1 0.18943565 0.82087746 0.50000000 1.0 Ir Ir31 1 0.17912254 0.36855919 0.50000000 1.0 Ir Ir32 1 0.36855919 0.17912254 0.50000000 1.0 Ir Ir33 1 0.81056435 0.63144081 0.50000000 1.0 Ir Ir34 1 0.82087746 0.18943565 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0