data_image0 _chemical_formula_structural Ag12Br12 _chemical_formula_sum "Ag12 Br12" _cell_length_a 14.421723755531596 _cell_length_b 7.272556089896242 _cell_length_c 19.69116549 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Ag Ag1 1.0 0.6459026741811725 0.4772558543511376 0.582465136755092 1.0000 Ag Ag2 1.0 0.35409858603353633 0.477256044105604 0.41753498360345154 1.0000 Ag Ag3 1.0 0.8540991658695075 0.47725566459667124 0.5824653063743055 1.0000 Ag Ag4 1.0 0.14590314415036015 0.47725623523510274 0.41753509329731403 1.0000 Ag Ag5 1.0 0.14590314415036015 0.97725623455472 0.5824649067026859 1.0000 Ag Ag6 1.0 0.8540991360533768 0.9772556652913209 0.41753469362569456 1.0000 Ag Ag7 1.0 0.35409858603353633 0.9772560448002537 0.5824650163965486 1.0000 Ag Ag8 1.0 0.6459026741811725 0.9772558550457874 0.4175348632449079 1.0000 Ag Ag9 1.0 0.0 0.7702512790217504 0.499999999746079 1.0000 Ag Ag10 1.0 0.5000000001549192 0.770251368398854 0.499999999746079 1.0000 Ag Ag11 1.0 0.5000000001549192 0.2702513594540102 0.499999999746079 1.0000 Ag Ag12 1.0 0.0 0.2702512783271006 0.499999999746079 1.0000 Br Br1 1.0 0.067378151632345 0.27220468643071594 0.617391279158865 1.0000 Br Br2 1.0 0.9326241084628388 0.2722044072991458 0.38260859083359416 1.0000 Br Br3 1.0 0.4326236679999435 0.2722043962988869 0.6173914492859204 1.0000 Br Br4 1.0 0.5673774417473152 0.27220419691919395 0.38260870103529865 1.0000 Br Br5 1.0 0.5673774514548926 0.7722042072390702 0.6173913091215405 1.0000 Br Br6 1.0 0.4326236679999435 0.7722043969935366 0.3826085507140797 1.0000 Br Br7 1.0 0.932624098061863 0.7722043969935366 0.6173914091664059 1.0000 Br Br8 1.0 0.067378151632345 0.7722046871253656 0.38260872084113495 1.0000 Br Br9 1.0 0.2500000000774596 0.7006034353009292 0.5661766560065612 1.0000 Br Br10 1.0 0.7500008302302489 0.7006042850709308 0.43382353392633033 1.0000 Br Br11 1.0 0.750000819829273 0.200604284376281 0.5661764660736697 1.0000 Br Br12 1.0 0.2500000000774596 0.2006034346062794 0.43382334399343875 1.0000