# generated using pymatgen data_Ba10CaY4(Cu3O7)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63059200 _cell_length_b 8.70969876 _cell_length_c 12.46330071 _cell_angle_alpha 106.34113402 _cell_angle_beta 98.17043658 _cell_angle_gamma 89.25424628 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10CaY4(Cu3O7)5 _chemical_formula_sum 'Ba10 Ca1 Y4 Cu15 O35' _cell_volume 889.53441349 _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 0.73722500 0.97324500 0.18303800 1.0 Ba Ba1 1 0.53678400 0.57304100 0.18293200 1.0 Ba Ba2 1 0.33598500 0.17347800 0.18289600 1.0 Ba Ba3 1 0.13611300 0.77306500 0.18281700 1.0 Ba Ba4 1 0.93730600 0.37406300 0.18535200 1.0 Ba Ba5 1 0.86388700 0.22693500 0.81718300 1.0 Ba Ba6 1 0.66401500 0.82652200 0.81710400 1.0 Ba Ba7 1 0.46321600 0.42695900 0.81706800 1.0 Ba Ba8 1 0.26277500 0.02675500 0.81696200 1.0 Ba Ba9 1 0.06269400 0.62593700 0.81464800 1.0 Ca Ca10 1 0.00000000 0.50000000 0.50000000 1.0 Y Y11 1 0.19879500 0.89823500 0.49999000 1.0 Y Y12 1 0.39795400 0.30099400 0.49995400 1.0 Y Y13 1 0.60204600 0.69900600 0.50004600 1.0 Y Y14 1 0.80120500 0.10176500 0.50001000 1.0 Cu Cu15 1 0.07053000 0.14335200 0.35478400 1.0 Cu Cu16 1 0.87148000 0.74034000 0.35478300 1.0 Cu Cu17 1 0.67267000 0.34229400 0.35485100 1.0 Cu Cu18 1 0.47093300 0.94202800 0.35505100 1.0 Cu Cu19 1 0.26929300 0.54154300 0.35489600 1.0 Cu Cu20 1 0.12852000 0.25966000 0.64521700 1.0 Cu Cu21 1 0.92947000 0.85664800 0.64521600 1.0 Cu Cu22 1 0.73070700 0.45845700 0.64510400 1.0 Cu Cu23 1 0.52906700 0.05797200 0.64494900 1.0 Cu Cu24 1 0.32733000 0.65770600 0.64514900 1.0 Cu Cu25 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu26 1 0.80002700 0.59986200 0.99999900 1.0 Cu Cu27 1 0.60001900 0.20009100 0.00006700 1.0 Cu Cu28 1 0.39998100 0.79990900 0.99993300 1.0 Cu Cu29 1 0.19997300 0.40013800 0.00000100 1.0 O O30 1 0.03180400 0.06346300 0.15856600 1.0 O O31 1 0.83162700 0.66356200 0.15850800 1.0 O O32 1 0.63147200 0.26334000 0.15823000 1.0 O O33 1 0.43195400 0.86384300 0.15902600 1.0 O O34 1 0.23201000 0.46365200 0.15850400 1.0 O O35 1 0.16837300 0.33643800 0.84149200 1.0 O O36 1 0.96819600 0.93653700 0.84143400 1.0 O O37 1 0.76799000 0.53634800 0.84149600 1.0 O O38 1 0.56804600 0.13615700 0.84097400 1.0 O O39 1 0.36852800 0.73666000 0.84177000 1.0 O O40 1 0.97576500 0.95155000 0.37891600 1.0 O O41 1 0.76968200 0.55251300 0.37504900 1.0 O O42 1 0.57519800 0.15183000 0.37858300 1.0 O O43 1 0.37626300 0.75107300 0.37850000 1.0 O O44 1 0.18032600 0.34746700 0.37503700 1.0 O O45 1 0.02423500 0.04845000 0.62108400 1.0 O O46 1 0.81967400 0.65253300 0.62496300 1.0 O O47 1 0.62373700 0.24892700 0.62150000 1.0 O O48 1 0.42480200 0.84817000 0.62141700 1.0 O O49 1 0.23031800 0.44748700 0.62495100 1.0 O O50 1 0.90009600 0.80033800 0.00009300 1.0 O O51 1 0.70036800 0.40048000 0.00016000 1.0 O O52 1 0.50000000 0.00000000 0.00000000 1.0 O O53 1 0.29963200 0.59952000 0.99984000 1.0 O O54 1 0.09990400 0.19966200 0.99990700 1.0 O O55 1 0.07798300 0.65567200 0.37573000 1.0 O O56 1 0.27588500 0.05114100 0.37955700 1.0 O O57 1 0.47593300 0.45196200 0.37986300 1.0 O O58 1 0.67601200 0.85245900 0.37954100 1.0 O O59 1 0.87229400 0.24491000 0.37567700 1.0 O O60 1 0.12770600 0.75509000 0.62432300 1.0 O O61 1 0.32398800 0.14754100 0.62045900 1.0 O O62 1 0.52406700 0.54803800 0.62013700 1.0 O O63 1 0.72411500 0.94885900 0.62044300 1.0 O O64 1 0.92201700 0.34432800 0.62427000 1.0