# generated using pymatgen data_Zr24P7Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.86081384 _cell_length_b 10.85907133 _cell_length_c 5.38412918 _cell_angle_alpha 89.94006145 _cell_angle_beta 90.03066294 _cell_angle_gamma 90.02724563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr24P7Se _chemical_formula_sum 'Zr24 P7 Se1' _cell_volume 634.99481416 _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 0.02758675 0.86248190 0.27933710 1.0 Zr Zr1 1 0.35993228 0.47648100 0.78120821 1.0 Zr Zr2 1 0.63793451 0.53197712 0.77987042 1.0 Zr Zr3 1 0.97316603 0.13716013 0.27946450 1.0 Zr Zr4 1 0.47216389 0.63744670 0.22198267 1.0 Zr Zr5 1 0.13678282 0.02736627 0.72167193 1.0 Zr Zr6 1 0.86337860 0.97227183 0.71990667 1.0 Zr Zr7 1 0.52683936 0.36587467 0.21857285 1.0 Zr Zr8 1 0.28441130 0.82012095 0.98443846 1.0 Zr Zr9 1 0.31724120 0.21450149 0.48119822 1.0 Zr Zr10 1 0.67981813 0.78494597 0.48395088 1.0 Zr Zr11 1 0.71855575 0.17844973 0.98775130 1.0 Zr Zr12 1 0.21485341 0.68000983 0.51478276 1.0 Zr Zr13 1 0.17970165 0.28471223 0.01483956 1.0 Zr Zr14 1 0.82105120 0.71545132 0.01588505 1.0 Zr Zr15 1 0.78745945 0.32070255 0.51363443 1.0 Zr Zr16 1 0.89316445 0.41485955 0.03854959 1.0 Zr Zr17 1 0.91512850 0.60705309 0.53872249 1.0 Zr Zr18 1 0.08505985 0.39294260 0.53884392 1.0 Zr Zr19 1 0.10670940 0.58503562 0.03811341 1.0 Zr Zr20 1 0.60866522 0.08136580 0.45585284 1.0 Zr Zr21 1 0.58543058 0.89302146 0.96110809 1.0 Zr Zr22 1 0.41268066 0.10312822 0.96729834 1.0 Zr Zr23 1 0.39303895 0.91488924 0.46157082 1.0 P P24 1 0.79500774 0.95815774 0.21130665 1.0 P P25 1 0.20511638 0.03960992 0.21352126 1.0 P P26 1 0.45889398 0.70700970 0.71339516 1.0 P P27 1 0.95954949 0.20592724 0.78780530 1.0 P P28 1 0.70669533 0.54120527 0.28787758 1.0 P P29 1 0.29324369 0.45956669 0.28748958 1.0 P P30 1 0.04099242 0.79367776 0.78730679 1.0 Se Se31 1 0.53974500 0.29259843 0.71274517 1.0