# generated using pymatgen data_Ba2Pr3(CoO3)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68442900 _cell_length_b 8.77030930 _cell_length_c 8.83964247 _cell_angle_alpha 89.27408731 _cell_angle_beta 114.27244630 _cell_angle_gamma 101.79328190 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Pr3(CoO3)5 _chemical_formula_sum 'Ba4 Pr6 Co10 O30' _cell_volume 598.87698533 _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 Ba Ba0 1 0.00153200 0.80187400 0.59917700 1.0 Ba Ba1 1 0.00057200 0.59860500 0.19862500 1.0 Ba Ba2 1 0.99942800 0.40139500 0.80137500 1.0 Ba Ba3 1 0.99846800 0.19812600 0.40082300 1.0 Pr Pr4 1 0.49798000 0.10333100 0.20377500 1.0 Pr Pr5 1 0.50000000 0.50000000 0.00000000 1.0 Pr Pr6 1 0.50194700 0.30253500 0.59806700 1.0 Pr Pr7 1 0.49805300 0.69746500 0.40193300 1.0 Pr Pr8 1 0.50202000 0.89666900 0.79622500 1.0 Pr Pr9 1 0.00000000 0.00000000 0.00000000 1.0 Co Co10 1 0.25390300 0.35022600 0.20216500 1.0 Co Co11 1 0.25052600 0.75029900 0.00116700 1.0 Co Co12 1 0.24901800 0.54924400 0.59954100 1.0 Co Co13 1 0.25044000 0.95062100 0.39951300 1.0 Co Co14 1 0.25486000 0.15133400 0.80251200 1.0 Co Co15 1 0.75098200 0.45075600 0.40045900 1.0 Co Co16 1 0.74514000 0.84866600 0.19748800 1.0 Co Co17 1 0.74609700 0.64977400 0.79783500 1.0 Co Co18 1 0.74956000 0.04937900 0.60048700 1.0 Co Co19 1 0.74947400 0.24970100 0.99883300 1.0 O O20 1 0.50544400 0.40010600 0.30191500 1.0 O O21 1 0.48899300 0.80194900 0.09437200 1.0 O O22 1 0.49455600 0.59989400 0.69808500 1.0 O O23 1 0.50000000 0.00000000 0.50000000 1.0 O O24 1 0.51100700 0.19805100 0.90562800 1.0 O O25 1 0.26629100 0.25086800 0.01390200 1.0 O O26 1 0.27016400 0.65514600 0.80889800 1.0 O O27 1 0.27252700 0.44750800 0.40746400 1.0 O O28 1 0.26433800 0.86421700 0.20106000 1.0 O O29 1 0.27411100 0.05495700 0.60691300 1.0 O O30 1 0.26436900 0.15300400 0.29554900 1.0 O O31 1 0.27267000 0.55013200 0.11272200 1.0 O O32 1 0.26993200 0.34550100 0.71517100 1.0 O O33 1 0.27257500 0.75437900 0.50340500 1.0 O O34 1 0.26114400 0.96735800 0.90868000 1.0 O O35 1 0.72983600 0.34485400 0.19110200 1.0 O O36 1 0.73370900 0.74913200 0.98609800 1.0 O O37 1 0.72747300 0.55249200 0.59253600 1.0 O O38 1 0.72588900 0.94504300 0.39308700 1.0 O O39 1 0.73566200 0.13578300 0.79894000 1.0 O O40 1 0.72742500 0.24562100 0.49659500 1.0 O O41 1 0.73006800 0.65449900 0.28482900 1.0 O O42 1 0.72733000 0.44986800 0.88727800 1.0 O O43 1 0.73563100 0.84699600 0.70445100 1.0 O O44 1 0.73885600 0.03264200 0.09132000 1.0 O O45 1 0.00000000 0.50000000 0.50000000 1.0 O O46 1 0.00800100 0.90618000 0.28641300 1.0 O O47 1 0.01148500 0.71786000 0.90845300 1.0 O O48 1 0.99199900 0.09382000 0.71358700 1.0 O O49 1 0.98851500 0.28214000 0.09154700 1.0