# generated using pymatgen data_Zr24As5Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.99779495 _cell_length_b 11.00308505 _cell_length_c 5.47864925 _cell_angle_alpha 89.87690821 _cell_angle_beta 89.98026639 _cell_angle_gamma 90.01541747 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr24As5Se3 _chemical_formula_sum 'Zr24 As5 Se3' _cell_volume 662.96796282 _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 Zr Zr0 1 0.89542885 0.58442218 0.03975516 1.0 Zr Zr1 1 0.10470227 0.41542451 0.04074294 1.0 Zr Zr2 1 0.91532542 0.39528348 0.54066270 1.0 Zr Zr3 1 0.08469004 0.60451028 0.54151275 1.0 Zr Zr4 1 0.60309041 0.91515616 0.46184992 1.0 Zr Zr5 1 0.39657004 0.08422057 0.45949708 1.0 Zr Zr6 1 0.58425834 0.10384436 0.95892214 1.0 Zr Zr7 1 0.41650287 0.89592020 0.95745458 1.0 Zr Zr8 1 0.86081392 0.02658870 0.71512692 1.0 Zr Zr9 1 0.13917000 0.97432940 0.71461796 1.0 Zr Zr10 1 0.47358609 0.36092841 0.21419545 1.0 Zr Zr11 1 0.52672493 0.63992628 0.21649358 1.0 Zr Zr12 1 0.64004236 0.47364348 0.78519598 1.0 Zr Zr13 1 0.35983691 0.52597302 0.78444578 1.0 Zr Zr14 1 0.02600062 0.14010478 0.28582935 1.0 Zr Zr15 1 0.97378623 0.86043311 0.28565607 1.0 Zr Zr16 1 0.28469126 0.18151177 0.98557031 1.0 Zr Zr17 1 0.71487926 0.81891680 0.98589406 1.0 Zr Zr18 1 0.31869242 0.78459143 0.48729701 1.0 Zr Zr19 1 0.68153850 0.21551616 0.48486614 1.0 Zr Zr20 1 0.21471681 0.31789449 0.51270596 1.0 Zr Zr21 1 0.78492644 0.68139356 0.51416917 1.0 Zr Zr22 1 0.18136508 0.71480094 0.01284939 1.0 Zr Zr23 1 0.81855218 0.28547630 0.01311250 1.0 As As24 1 0.53933148 0.70532059 0.71165937 1.0 As As25 1 0.70566633 0.46090793 0.28933847 1.0 As As26 1 0.29443824 0.53954036 0.28969065 1.0 As As27 1 0.03917043 0.20579161 0.79000041 1.0 As As28 1 0.96076267 0.79443837 0.78956625 1.0 Se Se29 1 0.79278934 0.03901741 0.21109782 1.0 Se Se30 1 0.20704578 0.96083720 0.21039261 1.0 Se Se31 1 0.46090448 0.29333515 0.70983554 1.0