# generated using pymatgen data_Sr7Cu44As23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.86423355 _cell_length_b 11.86423355 _cell_length_c 11.86423355 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr7Cu44As23 _chemical_formula_sum 'Sr7 Cu44 As23' _cell_volume 1180.87537022 _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 0.75614100 0.75614100 0.24385900 1.0 Sr Sr1 1 0.24385900 0.75614100 0.24385900 1.0 Sr Sr2 1 0.75614100 0.24385900 0.24385900 1.0 Sr Sr3 1 0.24385900 0.24385900 0.75614100 1.0 Sr Sr4 1 0.75614100 0.24385900 0.75614100 1.0 Sr Sr5 1 0.24385900 0.75614100 0.75614100 1.0 Sr Sr6 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu7 1 0.74556100 0.98063000 0.52824900 1.0 Cu Cu8 1 0.74556100 0.74556100 0.52824900 1.0 Cu Cu9 1 0.98063000 0.74556100 0.52824900 1.0 Cu Cu10 1 0.74556100 0.52824900 0.98063000 1.0 Cu Cu11 1 0.98063000 0.52824900 0.74556000 1.0 Cu Cu12 1 0.74556100 0.52824900 0.74556000 1.0 Cu Cu13 1 0.52824900 0.74556100 0.74556000 1.0 Cu Cu14 1 0.52824900 0.98063000 0.74556000 1.0 Cu Cu15 1 0.52824900 0.74556100 0.98063000 1.0 Cu Cu16 1 0.98063000 0.74556100 0.74556000 1.0 Cu Cu17 1 0.74556100 0.74556100 0.98063000 1.0 Cu Cu18 1 0.74556100 0.98063000 0.74556000 1.0 Cu Cu19 1 0.25444000 0.01937000 0.47175100 1.0 Cu Cu20 1 0.25443900 0.25444000 0.47175100 1.0 Cu Cu21 1 0.01937000 0.25444000 0.47175100 1.0 Cu Cu22 1 0.25444000 0.47175100 0.01937000 1.0 Cu Cu23 1 0.01937000 0.47175100 0.25443900 1.0 Cu Cu24 1 0.25444000 0.47175100 0.25443900 1.0 Cu Cu25 1 0.47175100 0.25444000 0.25443900 1.0 Cu Cu26 1 0.47175100 0.01937000 0.25443900 1.0 Cu Cu27 1 0.47175100 0.25444000 0.01937000 1.0 Cu Cu28 1 0.01937000 0.25444000 0.25443900 1.0 Cu Cu29 1 0.25444000 0.25444000 0.01937000 1.0 Cu Cu30 1 0.25444000 0.01937000 0.25443900 1.0 Cu Cu31 1 0.00000000 0.00000000 0.36421700 1.0 Cu Cu32 1 0.63578300 0.00000000 0.36421700 1.0 Cu Cu33 1 0.00000000 0.63578300 0.36421700 1.0 Cu Cu34 1 0.63578300 0.36421700 0.00000000 1.0 Cu Cu35 1 0.00000000 0.36421700 0.00000000 1.0 Cu Cu36 1 0.00000000 0.36421700 0.63578300 1.0 Cu Cu37 1 0.36421700 0.63578300 0.00000000 1.0 Cu Cu38 1 0.36421700 0.00000000 0.63578300 1.0 Cu Cu39 1 0.36421700 0.00000000 0.00000000 1.0 Cu Cu40 1 0.00000000 0.00000000 0.63578300 1.0 Cu Cu41 1 0.00000000 0.63578300 0.00000000 1.0 Cu Cu42 1 0.63578300 0.00000000 0.00000000 1.0 Cu Cu43 1 0.58797000 0.58797000 0.23609100 1.0 Cu Cu44 1 0.58797000 0.23609100 0.58797000 1.0 Cu Cu45 1 0.23609100 0.58797000 0.58797000 1.0 Cu Cu46 1 0.58797000 0.58797000 0.58797000 1.0 Cu Cu47 1 0.41203000 0.41203000 0.76390900 1.0 Cu Cu48 1 0.41203000 0.76390900 0.41203000 1.0 Cu Cu49 1 0.76390900 0.41203000 0.41203000 1.0 Cu Cu50 1 0.41203000 0.41203000 0.41203000 1.0 As As51 1 0.50000000 0.50000000 0.84393800 1.0 As As52 1 0.15606200 0.50000000 0.84393800 1.0 As As53 1 0.50000000 0.15606200 0.84393800 1.0 As As54 1 0.15606200 0.84393800 0.50000000 1.0 As As55 1 0.50000000 0.84393800 0.50000000 1.0 As As56 1 0.50000000 0.84393800 0.15606200 1.0 As As57 1 0.84393800 0.15606200 0.50000000 1.0 As As58 1 0.84393800 0.50000000 0.15606200 1.0 As As59 1 0.84393800 0.50000000 0.50000000 1.0 As As60 1 0.50000000 0.50000000 0.15606200 1.0 As As61 1 0.50000000 0.15606200 0.50000000 1.0 As As62 1 0.15606200 0.50000000 0.50000000 1.0 As As63 1 0.88935100 0.88935100 0.33194600 1.0 As As64 1 0.88935100 0.33194600 0.88935100 1.0 As As65 1 0.33194600 0.88935100 0.88935100 1.0 As As66 1 0.88935100 0.88935100 0.88935100 1.0 As As67 1 0.11064900 0.11064900 0.66805400 1.0 As As68 1 0.11064900 0.66805400 0.11064900 1.0 As As69 1 0.66805400 0.11064900 0.11064900 1.0 As As70 1 0.11064900 0.11064900 0.11064900 1.0 As As71 1 0.75000000 0.75000000 0.75000000 1.0 As As72 1 0.25000000 0.25000000 0.25000000 1.0 As As73 1 0.50000000 0.50000000 0.50000000 1.0