# generated using pymatgen data_Cu5(PO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.32997200 _cell_length_b 4.58887100 _cell_length_c 8.93676192 _cell_angle_alpha 87.16911028 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu5(PO6)2 _chemical_formula_sum 'Cu10 P4 O24' _cell_volume 423.11153919 _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 0.50000000 0.00000000 0.50000000 1.0 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu2 1 0.43152200 0.95247900 0.86261400 1.0 Cu Cu3 1 0.93152200 0.04752100 0.63738600 1.0 Cu Cu4 1 0.56847800 0.04752100 0.13738600 1.0 Cu Cu5 1 0.06847800 0.95247900 0.36261400 1.0 Cu Cu6 1 0.23695500 0.02846200 0.63209800 1.0 Cu Cu7 1 0.73695500 0.97153800 0.86790200 1.0 Cu Cu8 1 0.76304500 0.97153800 0.36790200 1.0 Cu Cu9 1 0.26304500 0.02846200 0.13209800 1.0 P P10 1 0.19499000 0.51421700 0.88647000 1.0 P P11 1 0.69499000 0.48578300 0.61353000 1.0 P P12 1 0.80501000 0.48578300 0.11353000 1.0 P P13 1 0.30501000 0.51421700 0.38647000 1.0 O O14 1 0.37814400 0.69868800 0.50029400 1.0 O O15 1 0.87814400 0.30131200 0.99970600 1.0 O O16 1 0.62185600 0.30131200 0.49970600 1.0 O O17 1 0.12185600 0.69868800 0.00029400 1.0 O O18 1 0.28678000 0.73237700 0.78937100 1.0 O O19 1 0.78678000 0.26762300 0.71062900 1.0 O O20 1 0.71322000 0.26762300 0.21062900 1.0 O O21 1 0.21322000 0.73237700 0.28937100 1.0 O O22 1 0.11379200 0.33120200 0.78650900 1.0 O O23 1 0.61379200 0.66879800 0.71349100 1.0 O O24 1 0.88620800 0.66879800 0.21349100 1.0 O O25 1 0.38620800 0.33120200 0.28650900 1.0 O O26 1 0.29524100 0.32625900 0.97915800 1.0 O O27 1 0.79524100 0.67374100 0.52084200 1.0 O O28 1 0.70475900 0.67374100 0.02084200 1.0 O O29 1 0.20475900 0.32625900 0.47915800 1.0 O O30 1 0.07908000 0.85508000 0.57111200 1.0 O O31 1 0.57908000 0.14492000 0.92888800 1.0 O O32 1 0.92092000 0.14492000 0.42888800 1.0 O O33 1 0.42092000 0.85508000 0.07111200 1.0 O O34 1 0.41310700 0.13595900 0.66854700 1.0 O O35 1 0.91310700 0.86404100 0.83145300 1.0 O O36 1 0.58689300 0.86404100 0.33145300 1.0 O O37 1 0.08689300 0.13595900 0.16854700 1.0