# generated using pymatgen data_Lu2Ta3Ni9P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.22547900 _cell_length_b 9.22547823 _cell_length_c 3.66302651 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000974 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Ta3Ni9P7 _chemical_formula_sum 'Lu2 Ta3 Ni9 P7' _cell_volume 269.99048802 _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 Lu Lu0 1 0.33333300 0.66666700 0.00000000 1.0 Lu Lu1 1 0.66666700 0.33333300 0.50000000 1.0 Ta Ta2 1 0.22616903 0.12021707 0.50000000 1.0 Ta Ta3 1 0.87978293 0.10595195 0.50000000 1.0 Ta Ta4 1 0.89404805 0.77383097 0.50000000 1.0 Ni Ni5 1 0.12971572 0.28588032 0.00000000 1.0 Ni Ni6 1 0.71411968 0.84383540 0.00000000 1.0 Ni Ni7 1 0.15616460 0.87028428 0.00000000 1.0 Ni Ni8 1 0.43498400 0.36782045 0.00000000 1.0 Ni Ni9 1 0.63217955 0.06716455 0.00000000 1.0 Ni Ni10 1 0.93283545 0.56501600 0.00000000 1.0 Ni Ni11 1 0.06067281 0.44556682 0.50000000 1.0 Ni Ni12 1 0.55443318 0.61510699 0.50000000 1.0 Ni Ni13 1 0.38489301 0.93932719 0.50000000 1.0 P P14 1 0.29141801 0.41313973 0.50000000 1.0 P P15 1 0.58686027 0.87827728 0.50000000 1.0 P P16 1 0.12172272 0.70858199 0.50000000 1.0 P P17 1 0.41775945 0.11273618 0.00000000 1.0 P P18 1 0.88726382 0.30502427 0.00000000 1.0 P P19 1 0.69497573 0.58224055 0.00000000 1.0 P P20 1 0.00000000 0.00000000 0.00000000 1.0