# generated using pymatgen data_CuH10(CO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08739016 _cell_length_b 8.18954200 _cell_length_c 12.71819617 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.04619793 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuH10(CO4)2 _chemical_formula_sum 'Cu4 H40 C8 O32' _cell_volume 829.43641266 _cell_formula_units_Z 4 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 Cu Cu0 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu2 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu3 1 0.00000000 0.00000000 0.50000000 1.0 H H4 1 0.98121700 0.03259400 0.76801700 1.0 H H5 1 0.97574600 0.72324100 0.22474800 1.0 H H6 1 0.20557800 0.69808600 0.04400300 1.0 H H7 1 0.19762000 0.89407800 0.71213900 1.0 H H8 1 0.29248900 0.19860300 0.95618700 1.0 H H9 1 0.52174800 0.69776000 0.20649600 1.0 H H10 1 0.70557800 0.80191400 0.54400300 1.0 H H11 1 0.30238000 0.39407800 0.78786100 1.0 H H12 1 0.79248900 0.30139700 0.45618700 1.0 H H13 1 0.70751100 0.80139700 0.04381300 1.0 H H14 1 0.29442200 0.19808600 0.45599700 1.0 H H15 1 0.08364100 0.33013400 0.66890500 1.0 H H16 1 0.30958000 0.38427600 0.28903600 1.0 H H17 1 0.41635900 0.83013400 0.83109500 1.0 H H18 1 0.52425400 0.22324100 0.27525200 1.0 H H19 1 0.91317200 0.67909300 0.82693600 1.0 H H20 1 0.47264800 0.95844500 0.25061100 1.0 H H21 1 0.01878300 0.96740600 0.23198300 1.0 H H22 1 0.48121700 0.46740600 0.26801700 1.0 H H23 1 0.08682800 0.32090700 0.17306400 1.0 H H24 1 0.58682800 0.17909300 0.67306400 1.0 H H25 1 0.58364100 0.16986600 0.16890500 1.0 H H26 1 0.97264800 0.54155500 0.75061100 1.0 H H27 1 0.47574600 0.77675900 0.72474800 1.0 H H28 1 0.69762000 0.60592200 0.21213900 1.0 H H29 1 0.47825200 0.30224000 0.79350400 1.0 H H30 1 0.02425400 0.27675900 0.77525200 1.0 H H31 1 0.41317200 0.82090700 0.32693600 1.0 H H32 1 0.52735200 0.04155500 0.74938900 1.0 H H33 1 0.80238000 0.10592200 0.28786100 1.0 H H34 1 0.97825200 0.19776000 0.29350400 1.0 H H35 1 0.69042000 0.61572400 0.71096400 1.0 H H36 1 0.91635900 0.66986600 0.33109500 1.0 H H37 1 0.02735200 0.45844500 0.24938900 1.0 H H38 1 0.80958000 0.11572400 0.78903600 1.0 H H39 1 0.79442200 0.30191400 0.95599700 1.0 H H40 1 0.51878300 0.53259400 0.73198300 1.0 H H41 1 0.02174800 0.80224000 0.70649600 1.0 H H42 1 0.19042000 0.88427600 0.21096400 1.0 H H43 1 0.20751100 0.69860300 0.54381300 1.0 C C44 1 0.23495900 0.27319100 0.51101300 1.0 C C45 1 0.76504100 0.72680900 0.48898700 1.0 C C46 1 0.23459400 0.27307400 0.01230400 1.0 C C47 1 0.73459400 0.22692600 0.51230400 1.0 C C48 1 0.26540600 0.77307400 0.48769600 1.0 C C49 1 0.26504100 0.77319100 0.98898700 1.0 C C50 1 0.76540600 0.72692600 0.98769600 1.0 C C51 1 0.73495900 0.22680900 0.01101300 1.0 O O52 1 0.07438000 0.90636500 0.68786700 1.0 O O53 1 0.10916900 0.21499800 0.54666400 1.0 O O54 1 0.08196200 0.36851000 0.74259000 1.0 O O55 1 0.61055900 0.28623600 0.54942600 1.0 O O56 1 0.29156200 0.41389900 0.03937600 1.0 O O57 1 0.29186700 0.41392100 0.53859700 1.0 O O58 1 0.70813300 0.58607900 0.46140300 1.0 O O59 1 0.20813300 0.91392100 0.96140300 1.0 O O60 1 0.56666900 0.61205200 0.68521000 1.0 O O61 1 0.40865500 0.85334300 0.25142600 1.0 O O62 1 0.38944100 0.71376400 0.45057400 1.0 O O63 1 0.41803800 0.86851000 0.75741000 1.0 O O64 1 0.79186700 0.08607900 0.03859700 1.0 O O65 1 0.59134500 0.14665700 0.74857400 1.0 O O66 1 0.70843800 0.58610100 0.96062400 1.0 O O67 1 0.89083100 0.78500200 0.45333600 1.0 O O68 1 0.43333100 0.38794800 0.31479000 1.0 O O69 1 0.79156200 0.08610100 0.53937600 1.0 O O70 1 0.88944100 0.78623600 0.95057400 1.0 O O71 1 0.39083100 0.71499800 0.95333600 1.0 O O72 1 0.91803800 0.63149000 0.25741000 1.0 O O73 1 0.60916900 0.28500200 0.04666400 1.0 O O74 1 0.90865500 0.64665700 0.75142600 1.0 O O75 1 0.58196200 0.13149000 0.24259000 1.0 O O76 1 0.92562000 0.09363500 0.31213300 1.0 O O77 1 0.57438000 0.59363500 0.18786700 1.0 O O78 1 0.06666900 0.88794800 0.18521000 1.0 O O79 1 0.09134500 0.35334300 0.24857400 1.0 O O80 1 0.11055900 0.21376400 0.04942600 1.0 O O81 1 0.42562000 0.40636500 0.81213300 1.0 O O82 1 0.20843800 0.91389900 0.46062400 1.0 O O83 1 0.93333100 0.11205200 0.81479000 1.0