# generated using pymatgen data_SrEr6Sn23Ir6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.83766381 _cell_length_b 9.83766327 _cell_length_c 9.97427621 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000183 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrEr6Sn23Ir6 _chemical_formula_sum 'Sr1 Er6 Sn23 Ir6' _cell_volume 835.98010973 _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 Sr Sr0 1 0.00000000 0.00000000 0.00000000 1.0 Er Er1 1 0.48392346 0.51607654 0.30573067 1.0 Er Er2 1 0.51607654 0.48392346 0.69426933 1.0 Er Er3 1 0.48392346 0.96784893 0.30573067 1.0 Er Er4 1 0.51607654 0.03215107 0.69426933 1.0 Er Er5 1 0.03215107 0.51607654 0.30573067 1.0 Er Er6 1 0.96784893 0.48392346 0.69426933 1.0 Sn Sn7 1 0.11772322 0.88227678 0.28658646 1.0 Sn Sn8 1 0.88227678 0.11772322 0.71341354 1.0 Sn Sn9 1 0.11772322 0.23544543 0.28658646 1.0 Sn Sn10 1 0.88227678 0.76455457 0.71341354 1.0 Sn Sn11 1 0.76455457 0.88227678 0.28658646 1.0 Sn Sn12 1 0.23544543 0.11772322 0.71341354 1.0 Sn Sn13 1 0.77657599 0.22342401 0.46160685 1.0 Sn Sn14 1 0.22342401 0.77657599 0.53839315 1.0 Sn Sn15 1 0.77657599 0.55315198 0.46160685 1.0 Sn Sn16 1 0.22342401 0.44684802 0.53839315 1.0 Sn Sn17 1 0.44684802 0.22342401 0.46160685 1.0 Sn Sn18 1 0.55315198 0.77657599 0.53839315 1.0 Sn Sn19 1 0.35374330 0.00000000 0.00000000 1.0 Sn Sn20 1 0.64625670 0.00000000 0.00000000 1.0 Sn Sn21 1 0.00000000 0.35374330 0.00000000 1.0 Sn Sn22 1 1.00000000 0.64625670 0.00000000 1.0 Sn Sn23 1 0.64625670 0.64625670 0.00000000 1.0 Sn Sn24 1 0.35374330 0.35374330 0.00000000 1.0 Sn Sn25 1 0.33333300 0.66666700 0.12533279 1.0 Sn Sn26 1 0.66666700 0.33333300 0.87466721 1.0 Sn Sn27 1 0.33333300 0.66666700 0.83288528 1.0 Sn Sn28 1 0.66666700 0.33333300 0.16711472 1.0 Sn Sn29 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir30 1 0.82836598 0.17163402 0.20258474 1.0 Ir Ir31 1 0.17163402 0.82836598 0.79741526 1.0 Ir Ir32 1 0.82836598 0.65673295 0.20258474 1.0 Ir Ir33 1 0.17163402 0.34326705 0.79741526 1.0 Ir Ir34 1 0.34326705 0.17163402 0.20258474 1.0 Ir Ir35 1 0.65673295 0.82836598 0.79741526 1.0