# generated using pymatgen data_Ba6Pr2Y(CuO2)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53221100 _cell_length_b 8.71235516 _cell_length_c 13.93952996 _cell_angle_alpha 82.85456410 _cell_angle_beta 84.36950212 _cell_angle_gamma 71.89545706 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Pr2Y(CuO2)12 _chemical_formula_sum 'Ba6 Pr2 Y1 Cu12 O24' _cell_volume 632.38214902 _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 Ba Ba0 1 0.95474700 0.45481500 0.27154700 1.0 Ba Ba1 1 0.62135900 0.12107300 0.27304500 1.0 Ba Ba2 1 0.28765600 0.78798800 0.27298600 1.0 Ba Ba3 1 0.71234400 0.21201200 0.72701400 1.0 Ba Ba4 1 0.37864100 0.87892700 0.72695500 1.0 Ba Ba5 1 0.04525300 0.54518500 0.72845300 1.0 Pr Pr6 1 0.33425400 0.83169500 0.00000200 1.0 Pr Pr7 1 0.66574600 0.16830500 0.99999800 1.0 Y Y8 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu9 1 0.57069700 0.57082800 0.57568400 1.0 Cu Cu10 1 0.23752200 0.23753000 0.57564800 1.0 Cu Cu11 1 0.90405100 0.90393000 0.57559200 1.0 Cu Cu12 1 0.42930300 0.42917200 0.42431600 1.0 Cu Cu13 1 0.09594900 0.09607000 0.42440800 1.0 Cu Cu14 1 0.76247800 0.76247000 0.42435200 1.0 Cu Cu15 1 0.52105200 0.52132100 0.87297200 1.0 Cu Cu16 1 0.18712400 0.18935200 0.87229500 1.0 Cu Cu17 1 0.85546300 0.85277700 0.87248500 1.0 Cu Cu18 1 0.47894800 0.47867900 0.12702800 1.0 Cu Cu19 1 0.14453700 0.14722300 0.12751500 1.0 Cu Cu20 1 0.81287600 0.81064800 0.12770500 1.0 O O21 1 0.59345900 0.59391700 0.43780900 1.0 O O22 1 0.26073900 0.26025300 0.43787400 1.0 O O23 1 0.92688500 0.92688700 0.43763300 1.0 O O24 1 0.40654100 0.40608300 0.56219100 1.0 O O25 1 0.07311500 0.07311300 0.56236700 1.0 O O26 1 0.73926100 0.73974700 0.56212600 1.0 O O27 1 0.54874900 0.54874000 0.70961900 1.0 O O28 1 0.21554800 0.21521000 0.70949700 1.0 O O29 1 0.88198500 0.88216500 0.70945500 1.0 O O30 1 0.45125100 0.45126000 0.29038100 1.0 O O31 1 0.11801500 0.11783500 0.29054500 1.0 O O32 1 0.78445200 0.78479000 0.29050300 1.0 O O33 1 0.65723700 0.64448500 0.10696300 1.0 O O34 1 0.30746600 0.31992200 0.10692100 1.0 O O35 1 0.98162000 0.98157100 0.11088200 1.0 O O36 1 0.34276300 0.35551500 0.89303700 1.0 O O37 1 0.01838000 0.01842900 0.88911800 1.0 O O38 1 0.69253400 0.68007800 0.89307900 1.0 O O39 1 0.85471000 0.35533700 0.89083800 1.0 O O40 1 0.51890900 0.01875600 0.88687500 1.0 O O41 1 0.18171100 0.68103500 0.89076800 1.0 O O42 1 0.81828900 0.31896500 0.10923200 1.0 O O43 1 0.48109100 0.98124400 0.11312500 1.0 O O44 1 0.14529000 0.64466300 0.10916200 1.0