# generated using pymatgen data_Cu(PO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64124900 _cell_length_b 9.67840335 _cell_length_c 9.73900256 _cell_angle_alpha 107.83301445 _cell_angle_beta 113.02122388 _cell_angle_gamma 105.19511924 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu(PO3)3 _chemical_formula_sum 'Cu4 P12 O36' _cell_volume 716.59754203 _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 0.76682200 0.71702700 0.26535100 1.0 Cu Cu1 1 0.70950700 0.79166400 0.88819600 1.0 Cu Cu2 1 0.29049300 0.20833600 0.11180400 1.0 Cu Cu3 1 0.23317800 0.28297300 0.73464900 1.0 P P4 1 0.08503200 0.92310000 0.18180200 1.0 P P5 1 0.14831600 0.90236400 0.50653600 1.0 P P6 1 0.39608800 0.64429700 0.01314000 1.0 P P7 1 0.21159000 0.83956400 0.95554900 1.0 P P8 1 0.33841200 0.70435600 0.56896200 1.0 P P9 1 0.43355600 0.58988800 0.30766600 1.0 P P10 1 0.56644400 0.41011200 0.69233400 1.0 P P11 1 0.66158800 0.29564400 0.43103800 1.0 P P12 1 0.78841000 0.16043600 0.04445100 1.0 P P13 1 0.60391200 0.35570300 0.98686000 1.0 P P14 1 0.85168400 0.09763600 0.49346400 1.0 P P15 1 0.91496800 0.07690000 0.81819800 1.0 O O16 1 0.72486400 0.98891400 0.02460400 1.0 O O17 1 0.17604400 0.92563500 0.36165600 1.0 O O18 1 0.17784000 0.83500700 0.10419300 1.0 O O19 1 0.37372500 0.80049500 0.00906000 1.0 O O20 1 0.81839300 0.94157300 0.36289500 1.0 O O21 1 0.29974600 0.86156900 0.59506500 1.0 O O22 1 0.89944700 0.80803100 0.09125500 1.0 O O23 1 0.57620200 0.67982600 0.06119100 1.0 O O24 1 0.36000600 0.63807400 0.15765300 1.0 O O25 1 0.38996100 0.70278800 0.42959700 1.0 O O26 1 0.07268000 0.71891900 0.78452900 1.0 O O27 1 0.86589000 0.91208900 0.80375400 1.0 O O28 1 0.48852800 0.75191600 0.73624500 1.0 O O29 1 0.98428800 0.75883400 0.43223600 1.0 O O30 1 0.61668200 0.64694000 0.38019500 1.0 O O31 1 0.19277800 0.55711900 0.51338400 1.0 O O32 1 0.73856000 0.50127800 0.15280700 1.0 O O33 1 0.31872300 0.41672700 0.24871100 1.0 O O34 1 0.68127700 0.58327300 0.75128900 1.0 O O35 1 0.26144000 0.49872200 0.84719300 1.0 O O36 1 0.80722200 0.44288100 0.48661600 1.0 O O37 1 0.38331800 0.35306000 0.61980500 1.0 O O38 1 0.01571200 0.24116600 0.56776400 1.0 O O39 1 0.51147200 0.24808400 0.26375500 1.0 O O40 1 0.13411000 0.08791100 0.19624600 1.0 O O41 1 0.92732000 0.28108100 0.21547100 1.0 O O42 1 0.61003900 0.29721200 0.57040300 1.0 O O43 1 0.63999400 0.36192600 0.84234700 1.0 O O44 1 0.42379800 0.32017400 0.93880900 1.0 O O45 1 0.10055300 0.19196900 0.90874500 1.0 O O46 1 0.70025400 0.13843100 0.40493500 1.0 O O47 1 0.18160700 0.05842700 0.63710500 1.0 O O48 1 0.62627500 0.19950500 0.99094000 1.0 O O49 1 0.82216000 0.16499300 0.89580700 1.0 O O50 1 0.82395600 0.07436500 0.63834400 1.0 O O51 1 0.27513600 0.01108600 0.97539600 1.0