# generated using pymatgen data_Na4Cu7P4(ClO9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43844500 _cell_length_b 8.56314505 _cell_length_c 8.56314506 _cell_angle_alpha 104.99337353 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4Cu7P4(ClO9)2 _chemical_formula_sum 'Na4 Cu7 P4 Cl2 O18' _cell_volume 456.04198305 _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 0.00508500 0.30602900 0.68951800 1.0 Na Na1 1 0.00508500 0.68951800 0.30602900 1.0 Na Na2 1 0.49491500 0.30602900 0.68951800 1.0 Na Na3 1 0.49491500 0.68951800 0.30602900 1.0 Cu Cu4 1 0.00256500 0.00206200 0.00206200 1.0 Cu Cu5 1 0.25000000 0.67843100 0.90225300 1.0 Cu Cu6 1 0.25000000 0.90225300 0.67843100 1.0 Cu Cu7 1 0.49743500 0.00206200 0.00206200 1.0 Cu Cu8 1 0.75000000 0.08433100 0.31531400 1.0 Cu Cu9 1 0.75000000 0.31531400 0.08433100 1.0 Cu Cu10 1 0.75000000 0.62030400 0.62030400 1.0 P P11 1 0.25000000 0.04195200 0.37633800 1.0 P P12 1 0.25000000 0.37633800 0.04195200 1.0 P P13 1 0.75000000 0.63300400 0.96179900 1.0 P P14 1 0.75000000 0.96179900 0.63300400 1.0 Cl Cl15 1 0.25000000 0.60684300 0.60684300 1.0 Cl Cl16 1 0.75000000 0.40215000 0.40215000 1.0 O O17 1 0.05390800 0.02231800 0.26215000 1.0 O O18 1 0.05390800 0.26215000 0.02231800 1.0 O O19 1 0.25000000 0.19708600 0.50939200 1.0 O O20 1 0.25000000 0.44806100 0.88944900 1.0 O O21 1 0.25000000 0.88944900 0.44806100 1.0 O O22 1 0.25000000 0.50939200 0.19708600 1.0 O O23 1 0.25000000 0.90850400 0.90850400 1.0 O O24 1 0.44609200 0.02231800 0.26215000 1.0 O O25 1 0.44609200 0.26215000 0.02231800 1.0 O O26 1 0.55342000 0.74195100 0.98436400 1.0 O O27 1 0.55342000 0.98436400 0.74195100 1.0 O O28 1 0.75000000 0.09785300 0.54233600 1.0 O O29 1 0.75000000 0.50832300 0.79168200 1.0 O O30 1 0.75000000 0.54233600 0.09785300 1.0 O O31 1 0.75000000 0.79168200 0.50832300 1.0 O O32 1 0.75000000 0.09351300 0.09351300 1.0 O O33 1 0.94658000 0.74195100 0.98436400 1.0 O O34 1 0.94658000 0.98436400 0.74195100 1.0