# generated using pymatgen data_Pr8(BCl)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78394264 _cell_length_b 9.16964951 _cell_length_c 14.35793360 _cell_angle_alpha 91.38405463 _cell_angle_beta 97.85054177 _cell_angle_gamma 115.11096018 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr8(BCl)7 _chemical_formula_sum 'Pr16 B14 Cl14' _cell_volume 915.39749287 _cell_formula_units_Z 2 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 Pr Pr0 1 0.95749460 0.83980794 0.19995895 1.0 Pr Pr1 1 0.48281630 0.84012763 0.20003578 1.0 Pr Pr2 1 0.78755541 0.28304769 0.58383158 1.0 Pr Pr3 1 0.72200505 0.73005491 0.42499066 1.0 Pr Pr4 1 0.23840217 0.58127959 0.74308930 1.0 Pr Pr5 1 0.60153162 0.72007860 0.96558895 1.0 Pr Pr6 1 0.51718370 0.15987237 0.79996422 1.0 Pr Pr7 1 0.27799495 0.26994509 0.57500934 1.0 Pr Pr8 1 0.76159783 0.41872041 0.25691070 1.0 Pr Pr9 1 0.09379492 0.70500136 0.96790757 1.0 Pr Pr10 1 0.28607149 0.41824982 0.25575271 1.0 Pr Pr11 1 0.04250540 0.16019206 0.80004105 1.0 Pr Pr12 1 0.90620508 0.29499864 0.03209243 1.0 Pr Pr13 1 0.71392851 0.58175018 0.74424729 1.0 Pr Pr14 1 0.39846838 0.27992140 0.03441105 1.0 Pr Pr15 1 0.21244459 0.71695231 0.41616842 1.0 B B16 1 0.25383147 0.46232003 0.93220444 1.0 B B17 1 0.67417787 0.46200606 0.93228338 1.0 B B18 1 0.82495887 0.42219095 0.87426589 1.0 B B19 1 0.17504113 0.57780905 0.12573411 1.0 B B20 1 0.12242596 0.62777740 0.23260469 1.0 B B21 1 0.36504857 0.35661086 0.74754064 1.0 B B22 1 0.74616853 0.53767997 0.06779556 1.0 B B23 1 0.87757404 0.37222260 0.76739531 1.0 B B24 1 0.63495143 0.64338914 0.25245936 1.0 B B25 1 0.57277758 0.57911928 0.13252144 1.0 B B26 1 0.42722242 0.42088072 0.86747856 1.0 B B27 1 0.03423057 0.42267955 0.87409740 1.0 B B28 1 0.32582213 0.53799394 0.06771662 1.0 B B29 1 0.96576943 0.57732045 0.12590260 1.0 Cl Cl30 1 0.36286048 0.11916393 0.21198111 1.0 Cl Cl31 1 0.86944550 0.13366112 0.20890709 1.0 Cl Cl32 1 0.63713952 0.88083607 0.78801889 1.0 Cl Cl33 1 0.09091691 0.97391411 0.39709869 1.0 Cl Cl34 1 0.96919071 0.64127008 0.57043534 1.0 Cl Cl35 1 0.13055450 0.86633888 0.79109291 1.0 Cl Cl36 1 0.03080929 0.35872992 0.42956466 1.0 Cl Cl37 1 0.00000000 0.00000000 0.00000000 1.0 Cl Cl38 1 0.90908309 0.02608589 0.60290131 1.0 Cl Cl39 1 0.45433363 0.63330402 0.56802559 1.0 Cl Cl40 1 0.54566637 0.36669598 0.43197441 1.0 Cl Cl41 1 0.41906133 0.02777773 0.60325581 1.0 Cl Cl42 1 0.50000000 0.00000000 0.00000000 1.0 Cl Cl43 1 0.58093867 0.97222227 0.39674419 1.0