# generated using pymatgen data_Na5Ti3(Cu4P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.50448117 _cell_length_b 12.50448185 _cell_length_c 3.77938043 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000596 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ti3(Cu4P3)4 _chemical_formula_sum 'Na5 Ti3 Cu16 P12' _cell_volume 511.77915470 _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 0.18580181 0.18580181 0.50000000 1.0 Na Na1 1 0.81419819 0.00000000 0.50000000 1.0 Na Na2 1 0.00000000 0.81419819 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 Ti Ti5 1 0.56471775 0.56471775 0.00000000 1.0 Ti Ti6 1 0.43528225 1.00000000 0.00000000 1.0 Ti Ti7 1 1.00000000 0.43528225 0.00000000 1.0 Cu Cu8 1 0.72390342 0.72390342 0.50000000 1.0 Cu Cu9 1 0.27609658 0.00000000 0.50000000 1.0 Cu Cu10 1 0.00000000 0.27609658 0.50000000 1.0 Cu Cu11 1 0.18337975 0.37299901 0.00000000 1.0 Cu Cu12 1 0.62700099 0.81037974 0.00000000 1.0 Cu Cu13 1 0.18962026 0.81662025 0.00000000 1.0 Cu Cu14 1 0.81037974 0.62700099 0.00000000 1.0 Cu Cu15 1 0.81662025 0.18962026 0.00000000 1.0 Cu Cu16 1 0.37299901 0.18337975 0.00000000 1.0 Cu Cu17 1 0.35571284 0.48319131 0.50000000 1.0 Cu Cu18 1 0.51680869 0.87252353 0.50000000 1.0 Cu Cu19 1 0.12747647 0.64428716 0.50000000 1.0 Cu Cu20 1 0.87252353 0.51680869 0.50000000 1.0 Cu Cu21 1 0.64428716 0.12747647 0.50000000 1.0 Cu Cu22 1 0.48319131 0.35571284 0.50000000 1.0 Cu Cu23 1 0.00000000 0.00000000 0.00000000 1.0 P P24 1 0.82320531 0.82320531 0.00000000 1.0 P P25 1 0.17679469 0.00000000 0.00000000 1.0 P P26 1 0.00000000 0.17679469 0.00000000 1.0 P P27 1 0.16400810 0.48236365 0.50000000 1.0 P P28 1 0.51763635 0.68164445 0.50000000 1.0 P P29 1 0.31835555 0.83599190 0.50000000 1.0 P P30 1 0.68164445 0.51763635 0.50000000 1.0 P P31 1 0.83599190 0.31835555 0.50000000 1.0 P P32 1 0.48236365 0.16400810 0.50000000 1.0 P P33 1 0.36876379 0.36876379 0.00000000 1.0 P P34 1 0.63123621 1.00000000 0.00000000 1.0 P P35 1 1.00000000 0.63123621 0.00000000 1.0