# generated using pymatgen data_Ba10PrY4(CuO2)20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.86542100 _cell_length_b 16.86542100 _cell_length_c 3.90584400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.48493683 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10PrY4(CuO2)20 _chemical_formula_sum 'Ba10 Pr1 Y4 Cu20 O40' _cell_volume 1047.36060347 _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 0.56425000 0.83649000 0.50000000 1.0 Ba Ba1 1 0.76421700 0.03595700 0.50000000 1.0 Ba Ba2 1 0.36305300 0.63694700 0.50000000 1.0 Ba Ba3 1 0.16351000 0.43575000 0.50000000 1.0 Ba Ba4 1 0.96404300 0.23578300 0.50000000 1.0 Ba Ba5 1 0.43575000 0.16351000 0.50000000 1.0 Ba Ba6 1 0.63694700 0.36305300 0.50000000 1.0 Ba Ba7 1 0.23578300 0.96404300 0.50000000 1.0 Ba Ba8 1 0.03595700 0.76421700 0.50000000 1.0 Ba Ba9 1 0.83649000 0.56425000 0.50000000 1.0 Pr Pr10 1 0.50000000 0.50000000 0.50000000 1.0 Y Y11 1 0.09978400 0.09978400 0.50000000 1.0 Y Y12 1 0.70099600 0.70099600 0.50000000 1.0 Y Y13 1 0.29900400 0.29900400 0.50000000 1.0 Y Y14 1 0.90021600 0.90021600 0.50000000 1.0 Cu Cu15 1 0.73880000 0.86217700 0.00000000 1.0 Cu Cu16 1 0.93838100 0.06161900 0.00000000 1.0 Cu Cu17 1 0.53824000 0.66422200 0.00000000 1.0 Cu Cu18 1 0.33577800 0.46176000 0.00000000 1.0 Cu Cu19 1 0.13782300 0.26120000 0.00000000 1.0 Cu Cu20 1 0.26120000 0.13782300 0.00000000 1.0 Cu Cu21 1 0.46176000 0.33577800 0.00000000 1.0 Cu Cu22 1 0.06161900 0.93838100 0.00000000 1.0 Cu Cu23 1 0.86217700 0.73880000 0.00000000 1.0 Cu Cu24 1 0.66422200 0.53824000 0.00000000 1.0 Cu Cu25 1 0.58746800 0.01272400 0.00000000 1.0 Cu Cu26 1 0.78743900 0.21256100 0.00000000 1.0 Cu Cu27 1 0.38717800 0.81308900 0.00000000 1.0 Cu Cu28 1 0.18691100 0.61282200 0.00000000 1.0 Cu Cu29 1 0.98727600 0.41253200 0.00000000 1.0 Cu Cu30 1 0.41253200 0.98727600 0.00000000 1.0 Cu Cu31 1 0.61282200 0.18691100 0.00000000 1.0 Cu Cu32 1 0.21256100 0.78743900 0.00000000 1.0 Cu Cu33 1 0.01272400 0.58746800 0.00000000 1.0 Cu Cu34 1 0.81308900 0.38717800 0.00000000 1.0 O O35 1 0.64929100 0.75296200 0.00000000 1.0 O O36 1 0.84827900 0.95227600 0.00000000 1.0 O O37 1 0.44390200 0.55609800 0.00000000 1.0 O O38 1 0.24703800 0.35070900 0.00000000 1.0 O O39 1 0.04772400 0.15172100 0.00000000 1.0 O O40 1 0.35070900 0.24703800 0.00000000 1.0 O O41 1 0.55609800 0.44390200 0.00000000 1.0 O O42 1 0.15172100 0.04772400 0.00000000 1.0 O O43 1 0.95227600 0.84827900 0.00000000 1.0 O O44 1 0.75296200 0.64929100 0.00000000 1.0 O O45 1 0.65481300 0.94549800 0.00000000 1.0 O O46 1 0.85483000 0.14517000 0.00000000 1.0 O O47 1 0.45480700 0.74604700 0.00000000 1.0 O O48 1 0.25395300 0.54519300 0.00000000 1.0 O O49 1 0.05450200 0.34518700 0.00000000 1.0 O O50 1 0.34518700 0.05450200 0.00000000 1.0 O O51 1 0.54519300 0.25395300 0.00000000 1.0 O O52 1 0.14517000 0.85483000 0.00000000 1.0 O O53 1 0.94549800 0.65481300 0.00000000 1.0 O O54 1 0.74604700 0.45480700 0.00000000 1.0 O O55 1 0.74821300 0.85313900 0.50000000 1.0 O O56 1 0.94754700 0.05245300 0.50000000 1.0 O O57 1 0.54982800 0.65804700 0.50000000 1.0 O O58 1 0.34195300 0.45017200 0.50000000 1.0 O O59 1 0.14686100 0.25178700 0.50000000 1.0 O O60 1 0.25178700 0.14686100 0.50000000 1.0 O O61 1 0.45017200 0.34195300 0.50000000 1.0 O O62 1 0.05245300 0.94754700 0.50000000 1.0 O O63 1 0.85313900 0.74821300 0.50000000 1.0 O O64 1 0.65804700 0.54982800 0.50000000 1.0 O O65 1 0.48134400 0.91878800 0.00000000 1.0 O O66 1 0.68142100 0.11823300 0.00000000 1.0 O O67 1 0.28144800 0.71855200 0.00000000 1.0 O O68 1 0.08121200 0.51865600 0.00000000 1.0 O O69 1 0.88176700 0.31857900 0.00000000 1.0 O O70 1 0.51865600 0.08121200 0.00000000 1.0 O O71 1 0.71855200 0.28144800 0.00000000 1.0 O O72 1 0.31857900 0.88176700 0.00000000 1.0 O O73 1 0.11823300 0.68142100 0.00000000 1.0 O O74 1 0.91878800 0.48134400 0.00000000 1.0