# generated using pymatgen data_Cu5(PO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60316700 _cell_length_b 4.61838900 _cell_length_c 16.56679119 _cell_angle_alpha 88.40098590 _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 428.54193450 _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 0.98418700 0.92824000 0.58363200 1.0 Cu Cu3 1 0.48418700 0.07176000 0.91636800 1.0 Cu Cu4 1 0.01581300 0.07176000 0.41636800 1.0 Cu Cu5 1 0.51581300 0.92824000 0.08363200 1.0 Cu Cu6 1 0.82420500 0.01500500 0.75539900 1.0 Cu Cu7 1 0.32420500 0.98499500 0.74460100 1.0 Cu Cu8 1 0.17579500 0.98499500 0.24460100 1.0 Cu Cu9 1 0.67579500 0.01500500 0.25539900 1.0 P P10 1 0.58569200 0.47719400 0.63185400 1.0 P P11 1 0.08569200 0.52280600 0.86814600 1.0 P P12 1 0.41430800 0.52280600 0.36814600 1.0 P P13 1 0.91430800 0.47719400 0.13185400 1.0 O O14 1 0.82085800 0.84930500 0.48612500 1.0 O O15 1 0.32085800 0.15069500 0.01387500 1.0 O O16 1 0.17914200 0.15069500 0.51387500 1.0 O O17 1 0.67914200 0.84930500 0.98612500 1.0 O O18 1 0.56962700 0.88423900 0.81900000 1.0 O O19 1 0.06962700 0.11576100 0.68100000 1.0 O O20 1 0.43037300 0.11576100 0.18100000 1.0 O O21 1 0.93037300 0.88423900 0.31900000 1.0 O O22 1 0.64519800 0.29618600 0.55718600 1.0 O O23 1 0.14519800 0.70381400 0.94281400 1.0 O O24 1 0.35480200 0.70381400 0.44281400 1.0 O O25 1 0.85480200 0.29618600 0.05718600 1.0 O O26 1 0.81218000 0.66134800 0.64900000 1.0 O O27 1 0.31218000 0.33865200 0.85100000 1.0 O O28 1 0.18782000 0.33865200 0.35100000 1.0 O O29 1 0.68782000 0.66134800 0.14900000 1.0 O O30 1 0.57330600 0.26046400 0.70906400 1.0 O O31 1 0.07330600 0.73953600 0.79093600 1.0 O O32 1 0.42669400 0.73953600 0.29093600 1.0 O O33 1 0.92669400 0.26046400 0.20906400 1.0 O O34 1 0.36442900 0.66370700 0.62855500 1.0 O O35 1 0.86442900 0.33629300 0.87144500 1.0 O O36 1 0.63557100 0.33629300 0.37144500 1.0 O O37 1 0.13557100 0.66370700 0.12855500 1.0