# generated using pymatgen data_Na5Cu3(PO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15331100 _cell_length_b 8.50180228 _cell_length_c 9.19285883 _cell_angle_alpha 116.13220198 _cell_angle_beta 89.51196592 _cell_angle_gamma 106.14481032 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Cu3(PO4)4 _chemical_formula_sum 'Na5 Cu3 P4 O16' _cell_volume 344.28507919 _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 Na Na0 1 0.50000000 0.50000000 0.50000000 1.0 Na Na1 1 0.78774600 0.78071300 0.75567200 1.0 Na Na2 1 0.21225400 0.21928700 0.24432800 1.0 Na Na3 1 0.16445800 0.48812300 0.86441200 1.0 Na Na4 1 0.83554200 0.51187700 0.13558800 1.0 Cu Cu5 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu6 1 0.34805500 0.04308200 0.70726700 1.0 Cu Cu7 1 0.65194500 0.95691800 0.29273300 1.0 P P8 1 0.57072400 0.25223300 0.93118400 1.0 P P9 1 0.42927600 0.74776700 0.06881600 1.0 P P10 1 0.77780500 0.21762100 0.47656800 1.0 P P11 1 0.22219500 0.78237900 0.52343200 1.0 O O12 1 0.76276500 0.11267100 0.06162300 1.0 O O13 1 0.23723500 0.88732900 0.93837700 1.0 O O14 1 0.52758600 0.24414100 0.76595900 1.0 O O15 1 0.47241400 0.75585900 0.23404100 1.0 O O16 1 0.29756200 0.19820900 0.00277500 1.0 O O17 1 0.70243800 0.80179100 0.99722500 1.0 O O18 1 0.70296900 0.44676500 0.90905000 1.0 O O19 1 0.29703100 0.55323500 0.09095000 1.0 O O20 1 0.47171500 0.19908400 0.49585000 1.0 O O21 1 0.52828500 0.80091600 0.50415000 1.0 O O22 1 0.76145800 0.17559000 0.32488300 1.0 O O23 1 0.23854200 0.82441000 0.67511700 1.0 O O24 1 0.91767500 0.09029100 0.63688400 1.0 O O25 1 0.08232500 0.90970900 0.36311600 1.0 O O26 1 0.91293400 0.41859700 0.40711100 1.0 O O27 1 0.08706600 0.58140300 0.59288900 1.0