# generated using pymatgen data_Na5Hf3(Cu4P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.61808409 _cell_length_b 12.61808368 _cell_length_c 3.83191350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000362 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Hf3(Cu4P3)4 _chemical_formula_sum 'Na5 Hf3 Cu16 P12' _cell_volume 528.36389583 _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 0.18438493 0.18438493 0.50000000 1.0 Na Na1 1 0.81561507 0.00000000 0.50000000 1.0 Na Na2 1 0.00000000 0.81561507 0.50000000 1.0 Na Na3 1 0.33333300 0.66666700 0.00000000 1.0 Na Na4 1 0.66666700 0.33333300 0.00000000 1.0 Hf Hf5 1 0.56652645 0.56652645 0.00000000 1.0 Hf Hf6 1 0.43347355 1.00000000 0.00000000 1.0 Hf Hf7 1 1.00000000 0.43347355 0.00000000 1.0 Cu Cu8 1 0.72816650 0.72816650 0.50000000 1.0 Cu Cu9 1 0.27183350 0.00000000 0.50000000 1.0 Cu Cu10 1 0.00000000 0.27183350 0.50000000 1.0 Cu Cu11 1 0.18439492 0.37165554 0.00000000 1.0 Cu Cu12 1 0.62834446 0.81274039 0.00000000 1.0 Cu Cu13 1 0.18725961 0.81560508 0.00000000 1.0 Cu Cu14 1 0.81274039 0.62834446 0.00000000 1.0 Cu Cu15 1 0.81560508 0.18725961 0.00000000 1.0 Cu Cu16 1 0.37165554 0.18439492 0.00000000 1.0 Cu Cu17 1 0.35677071 0.48343379 0.50000000 1.0 Cu Cu18 1 0.51656621 0.87333792 0.50000000 1.0 Cu Cu19 1 0.12666208 0.64322929 0.50000000 1.0 Cu Cu20 1 0.87333792 0.51656621 0.50000000 1.0 Cu Cu21 1 0.64322929 0.12666208 0.50000000 1.0 Cu Cu22 1 0.48343379 0.35677071 0.50000000 1.0 Cu Cu23 1 0.00000000 0.00000000 0.00000000 1.0 P P24 1 0.82329899 0.82329899 0.00000000 1.0 P P25 1 0.17670101 0.00000000 0.00000000 1.0 P P26 1 0.00000000 0.17670101 0.00000000 1.0 P P27 1 0.16737516 0.48238304 0.50000000 1.0 P P28 1 0.51761696 0.68499112 0.50000000 1.0 P P29 1 0.31500888 0.83262484 0.50000000 1.0 P P30 1 0.68499112 0.51761696 0.50000000 1.0 P P31 1 0.83262484 0.31500888 0.50000000 1.0 P P32 1 0.48238304 0.16737516 0.50000000 1.0 P P33 1 0.36494688 0.36494688 0.00000000 1.0 P P34 1 0.63505312 1.00000000 0.00000000 1.0 P P35 1 1.00000000 0.63505312 0.00000000 1.0