# generated using pymatgen data_ErCo2(PIr)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82402643 _cell_length_b 10.52366637 _cell_length_c 12.11744049 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErCo2(PIr)3 _chemical_formula_sum 'Er4 Co8 P12 Ir12' _cell_volume 487.63947153 _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 0.25000000 0.58335468 0.71085185 1.0 Er Er1 1 0.25000000 0.91664532 0.21085185 1.0 Er Er2 1 0.75000000 0.41664532 0.28914815 1.0 Er Er3 1 0.75000000 0.08335468 0.78914815 1.0 Co Co4 1 0.25000000 0.88376156 0.69780255 1.0 Co Co5 1 0.25000000 0.61623844 0.19780255 1.0 Co Co6 1 0.75000000 0.11623844 0.30219745 1.0 Co Co7 1 0.75000000 0.38376156 0.80219745 1.0 Co Co8 1 0.25000000 0.46240417 0.93322754 1.0 Co Co9 1 0.25000000 0.03759583 0.43322754 1.0 Co Co10 1 0.75000000 0.53759583 0.06677246 1.0 Co Co11 1 0.75000000 0.96240417 0.56677246 1.0 P P12 1 0.25000000 0.43363643 0.11112275 1.0 P P13 1 0.25000000 0.06636357 0.61112275 1.0 P P14 1 0.75000000 0.56636357 0.88887725 1.0 P P15 1 0.75000000 0.93363643 0.38887725 1.0 P P16 1 0.25000000 0.27398474 0.86884356 1.0 P P17 1 0.25000000 0.22601526 0.36884356 1.0 P P18 1 0.75000000 0.72601526 0.13115644 1.0 P P19 1 0.75000000 0.77398474 0.63115644 1.0 P P20 1 0.25000000 0.59834815 0.37698897 1.0 P P21 1 0.25000000 0.90165185 0.87698897 1.0 P P22 1 0.75000000 0.40165185 0.62301103 1.0 P P23 1 0.75000000 0.09834815 0.12301103 1.0 Ir Ir24 1 0.25000000 0.72260176 0.99260581 1.0 Ir Ir25 1 0.25000000 0.77739824 0.49260581 1.0 Ir Ir26 1 0.75000000 0.27739824 0.00739419 1.0 Ir Ir27 1 0.75000000 0.22260176 0.50739419 1.0 Ir Ir28 1 0.25000000 0.41038280 0.47539207 1.0 Ir Ir29 1 0.25000000 0.08961720 0.97539207 1.0 Ir Ir30 1 0.75000000 0.58961720 0.52460793 1.0 Ir Ir31 1 0.75000000 0.91038280 0.02460793 1.0 Ir Ir32 1 0.25000000 0.22913824 0.17742220 1.0 Ir Ir33 1 0.25000000 0.27086176 0.67742220 1.0 Ir Ir34 1 0.75000000 0.77086176 0.82257780 1.0 Ir Ir35 1 0.75000000 0.72913824 0.32257780 1.0