# generated using pymatgen data_Cu5P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18595106 _cell_length_b 8.09309600 _cell_length_c 9.95559297 _cell_angle_alpha 92.14271597 _cell_angle_beta 90.24192313 _cell_angle_gamma 90.05829855 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu5P3O13 _chemical_formula_sum 'Cu10 P6 O26' _cell_volume 498.05851058 _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 Cu Cu0 1 0.50051800 0.13575400 0.77769700 1.0 Cu Cu1 1 0.74905600 0.22851200 0.46117800 1.0 Cu Cu2 1 0.25094400 0.77148800 0.53882200 1.0 Cu Cu3 1 0.49948200 0.86424600 0.22230300 1.0 Cu Cu4 1 0.99645400 0.86439000 0.22062800 1.0 Cu Cu5 1 0.25482000 0.84978900 0.92174400 1.0 Cu Cu6 1 0.75301800 0.42860700 0.88722000 1.0 Cu Cu7 1 0.24698200 0.57139300 0.11278000 1.0 Cu Cu8 1 0.00354600 0.13561000 0.77937200 1.0 Cu Cu9 1 0.74518000 0.15021100 0.07825600 1.0 P P10 1 0.24949000 0.13228200 0.50457400 1.0 P P11 1 0.75051000 0.86771800 0.49542600 1.0 P P12 1 0.74816700 0.51074400 0.22934400 1.0 P P13 1 0.24965200 0.15894700 0.11210300 1.0 P P14 1 0.75034800 0.84105300 0.88789700 1.0 P P15 1 0.25183300 0.48925600 0.77065600 1.0 O O16 1 0.25041800 0.95764500 0.42905600 1.0 O O17 1 0.74997000 0.91076300 0.33908200 1.0 O O18 1 0.95451600 0.62453100 0.21817700 1.0 O O19 1 0.54274200 0.90175900 0.81288100 1.0 O O20 1 0.74770700 0.38976800 0.10265700 1.0 O O21 1 0.04193600 0.09712600 0.18475500 1.0 O O22 1 0.94583500 0.76261200 0.53068900 1.0 O O23 1 0.95806400 0.90287400 0.81524500 1.0 O O24 1 0.25229300 0.61023200 0.89734300 1.0 O O25 1 0.25298400 0.08901800 0.96367300 1.0 O O26 1 0.75175800 0.65542400 0.88716000 1.0 O O27 1 0.45758100 0.37545400 0.78215800 1.0 O O28 1 0.25120200 0.57637500 0.63953100 1.0 O O29 1 0.24731700 0.80601900 0.11931600 1.0 O O30 1 0.54241900 0.62454600 0.21784200 1.0 O O31 1 0.44436000 0.23871800 0.47068600 1.0 O O32 1 0.74958200 0.04235500 0.57094400 1.0 O O33 1 0.45725800 0.09824100 0.18711900 1.0 O O34 1 0.25003000 0.08923700 0.66091800 1.0 O O35 1 0.74879800 0.42362500 0.36046900 1.0 O O36 1 0.55564000 0.76128200 0.52931400 1.0 O O37 1 0.05416500 0.23738800 0.46931100 1.0 O O38 1 0.74701600 0.91098200 0.03632700 1.0 O O39 1 0.75268300 0.19398100 0.88068400 1.0 O O40 1 0.04548400 0.37546900 0.78182300 1.0 O O41 1 0.24824200 0.34457600 0.11284000 1.0