# generated using pymatgen data_Ca2Pr19(CoI12)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.02209200 _cell_length_b 10.05186445 _cell_length_c 26.45544496 _cell_angle_alpha 93.67464426 _cell_angle_beta 93.72426410 _cell_angle_gamma 106.86399135 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Pr19(CoI12)3 _chemical_formula_sum 'Ca2 Pr19 Co3 I36' _cell_volume 2535.52684725 _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 Ca Ca0 1 0.16659900 0.16661400 0.83336900 1.0 Ca Ca1 1 0.83340100 0.83338600 0.16663100 1.0 Pr Pr2 1 0.57327100 0.50198900 0.89880100 1.0 Pr Pr3 1 0.23907100 0.16836100 0.23281100 1.0 Pr Pr4 1 0.90735300 0.83676300 0.56680100 1.0 Pr Pr5 1 0.40993300 0.20545900 0.99076200 1.0 Pr Pr6 1 0.07673100 0.87423000 0.32385200 1.0 Pr Pr7 1 0.74438500 0.54135200 0.65817500 1.0 Pr Pr8 1 0.23543200 0.50550300 0.96749900 1.0 Pr Pr9 1 0.90021300 0.17119500 0.30045600 1.0 Pr Pr10 1 0.56747700 0.83957500 0.63460800 1.0 Pr Pr11 1 0.76092900 0.83163900 0.76718900 1.0 Pr Pr12 1 0.42672900 0.49801100 0.10119900 1.0 Pr Pr13 1 0.09264700 0.16323700 0.43319900 1.0 Pr Pr14 1 0.92326900 0.12577000 0.67614800 1.0 Pr Pr15 1 0.59006700 0.79454100 0.00923800 1.0 Pr Pr16 1 0.25561500 0.45864800 0.34182500 1.0 Pr Pr17 1 0.09978700 0.82880500 0.69954400 1.0 Pr Pr18 1 0.76456800 0.49449700 0.03250100 1.0 Pr Pr19 1 0.43252300 0.16042500 0.36539200 1.0 Pr Pr20 1 0.50000000 0.50000000 0.50000000 1.0 Co Co21 1 0.83306400 0.83302300 0.66659000 1.0 Co Co22 1 0.50000000 0.50000000 0.00000000 1.0 Co Co23 1 0.16693600 0.16697700 0.33341000 1.0 I I24 1 0.26890900 0.49605100 0.84554100 1.0 I I25 1 0.93540900 0.16273300 0.17888000 1.0 I I26 1 0.60076000 0.83081800 0.51092100 1.0 I I27 1 0.47046700 0.16530500 0.87166400 1.0 I I28 1 0.13723300 0.83193900 0.20505300 1.0 I I29 1 0.80541400 0.49572400 0.53745800 1.0 I I30 1 0.08925800 0.16794700 0.94717900 1.0 I I31 1 0.75539700 0.83411300 0.28053900 1.0 I I32 1 0.41857500 0.49808600 0.61379300 1.0 I I33 1 0.06459100 0.83726700 0.82112000 1.0 I I34 1 0.73109100 0.50394900 0.15445900 1.0 I I35 1 0.39924000 0.16918200 0.48907900 1.0 I I36 1 0.86276700 0.16806100 0.79494700 1.0 I I37 1 0.52953300 0.83469500 0.12833600 1.0 I I38 1 0.19458600 0.50427600 0.46254200 1.0 I I39 1 0.24460300 0.16588700 0.71946100 1.0 I I40 1 0.91074200 0.83205300 0.05282100 1.0 I I41 1 0.58142500 0.50191400 0.38620700 1.0 I I42 1 0.67937000 0.83310800 0.89413600 1.0 I I43 1 0.34632900 0.50023000 0.22766100 1.0 I I44 1 0.01287600 0.16728400 0.56065600 1.0 I I45 1 0.03687100 0.49119800 0.69103100 1.0 I I46 1 0.70309800 0.15764100 0.02456600 1.0 I I47 1 0.37018100 0.82432700 0.35820900 1.0 I I48 1 0.43931300 0.83095200 0.74226300 1.0 I I49 1 0.10617200 0.49780200 0.07559500 1.0 I I50 1 0.77263600 0.16517400 0.40928300 1.0 I I51 1 0.65367100 0.49977000 0.77233900 1.0 I I52 1 0.32063000 0.16689200 0.10586400 1.0 I I53 1 0.98712400 0.83271600 0.43934400 1.0 I I54 1 0.29690200 0.84235900 0.97543400 1.0 I I55 1 0.96312900 0.50880200 0.30896900 1.0 I I56 1 0.62981900 0.17567300 0.64179100 1.0 I I57 1 0.89382800 0.50219800 0.92440500 1.0 I I58 1 0.56068700 0.16904800 0.25773700 1.0 I I59 1 0.22736400 0.83482600 0.59071700 1.0