# generated using pymatgen data_U2CuP2(HO)24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04817400 _cell_length_b 7.04817400 _cell_length_c 21.10035800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural U2CuP2(HO)24 _chemical_formula_sum 'U4 Cu2 P4 H48 O48' _cell_volume 1048.19735137 _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 U U0 1 0.50000000 0.50000000 0.29129700 1.0 U U1 1 0.50000000 0.50000000 0.70870300 1.0 U U2 1 0.00000000 0.00000000 0.20870300 1.0 U U3 1 0.00000000 0.00000000 0.79129700 1.0 Cu Cu4 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu5 1 0.00000000 0.00000000 0.00000000 1.0 P P6 1 0.00000000 0.50000000 0.25000000 1.0 P P7 1 0.00000000 0.50000000 0.75000000 1.0 P P8 1 0.50000000 0.00000000 0.25000000 1.0 P P9 1 0.50000000 0.00000000 0.75000000 1.0 H H10 1 0.84032100 0.14885400 0.41539500 1.0 H H11 1 0.15967900 0.85114600 0.41539500 1.0 H H12 1 0.15967900 0.14885400 0.58460500 1.0 H H13 1 0.84032100 0.85114600 0.58460500 1.0 H H14 1 0.65967900 0.35114600 0.08460500 1.0 H H15 1 0.34032100 0.64885400 0.08460500 1.0 H H16 1 0.34032100 0.35114600 0.91539500 1.0 H H17 1 0.65967900 0.64885400 0.91539500 1.0 H H18 1 0.14885400 0.84032100 0.58460500 1.0 H H19 1 0.85114600 0.15967900 0.58460500 1.0 H H20 1 0.14885400 0.15967900 0.41539500 1.0 H H21 1 0.85114600 0.84032100 0.41539500 1.0 H H22 1 0.35114600 0.65967900 0.91539500 1.0 H H23 1 0.64885400 0.34032100 0.91539500 1.0 H H24 1 0.35114600 0.34032100 0.08460500 1.0 H H25 1 0.64885400 0.65967900 0.08460500 1.0 H H26 1 0.90342600 0.32236400 0.37310300 1.0 H H27 1 0.09657400 0.67763600 0.37310300 1.0 H H28 1 0.09657400 0.32236400 0.62689700 1.0 H H29 1 0.90342600 0.67763600 0.62689700 1.0 H H30 1 0.59657400 0.17763600 0.12689700 1.0 H H31 1 0.40342600 0.82236400 0.12689700 1.0 H H32 1 0.40342600 0.17763600 0.87310300 1.0 H H33 1 0.59657400 0.82236400 0.87310300 1.0 H H34 1 0.32236400 0.90342600 0.62689700 1.0 H H35 1 0.67763600 0.09657400 0.62689700 1.0 H H36 1 0.32236400 0.09657400 0.37310300 1.0 H H37 1 0.67763600 0.90342600 0.37310300 1.0 H H38 1 0.17763600 0.59657400 0.87310300 1.0 H H39 1 0.82236400 0.40342600 0.87310300 1.0 H H40 1 0.17763600 0.40342600 0.12689700 1.0 H H41 1 0.82236400 0.59657400 0.12689700 1.0 H H42 1 0.84492300 0.41611800 0.47034500 1.0 H H43 1 0.15507700 0.58388200 0.47034500 1.0 H H44 1 0.15507700 0.41611800 0.52965500 1.0 H H45 1 0.84492300 0.58388200 0.52965500 1.0 H H46 1 0.65507700 0.08388200 0.02965500 1.0 H H47 1 0.34492300 0.91611800 0.02965500 1.0 H H48 1 0.34492300 0.08388200 0.97034500 1.0 H H49 1 0.65507700 0.91611800 0.97034500 1.0 H H50 1 0.41611800 0.84492300 0.52965500 1.0 H H51 1 0.58388200 0.15507700 0.52965500 1.0 H H52 1 0.41611800 0.15507700 0.47034500 1.0 H H53 1 0.58388200 0.84492300 0.47034500 1.0 H H54 1 0.08388200 0.65507700 0.97034500 1.0 H H55 1 0.91611800 0.34492300 0.97034500 1.0 H H56 1 0.08388200 0.34492300 0.02965500 1.0 H H57 1 0.91611800 0.65507700 0.02965500 1.0 O O58 1 0.50000000 0.50000000 0.37735600 1.0 O O59 1 0.50000000 0.50000000 0.62264400 1.0 O O60 1 0.00000000 0.00000000 0.12264400 1.0 O O61 1 0.00000000 0.00000000 0.87735600 1.0 O O62 1 0.50000000 0.50000000 0.20515800 1.0 O O63 1 0.50000000 0.50000000 0.79484200 1.0 O O64 1 0.00000000 0.00000000 0.29484200 1.0 O O65 1 0.00000000 0.00000000 0.70515800 1.0 O O66 1 0.77285800 0.50000000 0.50000000 1.0 O O67 1 0.22714200 0.50000000 0.50000000 1.0 O O68 1 0.72714200 0.00000000 0.00000000 1.0 O O69 1 0.27285800 0.00000000 0.00000000 1.0 O O70 1 0.50000000 0.77285800 0.50000000 1.0 O O71 1 0.50000000 0.22714200 0.50000000 1.0 O O72 1 0.00000000 0.72714200 0.00000000 1.0 O O73 1 0.00000000 0.27285800 0.00000000 1.0 O O74 1 0.82667400 0.46197700 0.29390400 1.0 O O75 1 0.17332600 0.53802300 0.29390400 1.0 O O76 1 0.17332600 0.46197700 0.70609600 1.0 O O77 1 0.82667400 0.53802300 0.70609600 1.0 O O78 1 0.67332600 0.03802300 0.20609600 1.0 O O79 1 0.32667400 0.96197700 0.20609600 1.0 O O80 1 0.32667400 0.03802300 0.79390400 1.0 O O81 1 0.67332600 0.96197700 0.79390400 1.0 O O82 1 0.46197700 0.82667400 0.70609600 1.0 O O83 1 0.53802300 0.17332600 0.70609600 1.0 O O84 1 0.46197700 0.17332600 0.29390400 1.0 O O85 1 0.53802300 0.82667400 0.29390400 1.0 O O86 1 0.03802300 0.67332600 0.79390400 1.0 O O87 1 0.96197700 0.32667400 0.79390400 1.0 O O88 1 0.03802300 0.32667400 0.20609600 1.0 O O89 1 0.96197700 0.67332600 0.20609600 1.0 O O90 1 0.92282500 0.26490600 0.41519300 1.0 O O91 1 0.07717500 0.73509400 0.41519300 1.0 O O92 1 0.07717500 0.26490600 0.58480700 1.0 O O93 1 0.92282500 0.73509400 0.58480700 1.0 O O94 1 0.57717500 0.23509400 0.08480700 1.0 O O95 1 0.42282500 0.76490600 0.08480700 1.0 O O96 1 0.42282500 0.23509400 0.91519300 1.0 O O97 1 0.57717500 0.76490600 0.91519300 1.0 O O98 1 0.26490600 0.92282500 0.58480700 1.0 O O99 1 0.73509400 0.07717500 0.58480700 1.0 O O100 1 0.26490600 0.07717500 0.41519300 1.0 O O101 1 0.73509400 0.92282500 0.41519300 1.0 O O102 1 0.23509400 0.57717500 0.91519300 1.0 O O103 1 0.76490600 0.42282500 0.91519300 1.0 O O104 1 0.23509400 0.42282500 0.08480700 1.0 O O105 1 0.76490600 0.57717500 0.08480700 1.0