# generated using pymatgen data_NdLu3(Ni7P4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66659317 _cell_length_b 9.06670505 _cell_length_c 10.17991747 _cell_angle_alpha 90.11113029 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdLu3(Ni7P4)2 _chemical_formula_sum 'Nd1 Lu3 Ni14 P8' _cell_volume 338.41971313 _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 Nd Nd0 1 0.00000000 0.55988392 0.99942592 1.0 Lu Lu1 1 0.50000000 0.43541048 0.49798127 1.0 Lu Lu2 1 0.50000000 0.05816191 0.28337303 1.0 Lu Lu3 1 0.00000000 0.94093549 0.78180222 1.0 Ni Ni4 1 0.50000000 0.30046441 0.08314215 1.0 Ni Ni5 1 0.50000000 0.74572662 0.40566189 1.0 Ni Ni6 1 0.50000000 0.41578886 0.79676943 1.0 Ni Ni7 1 0.50000000 0.05768495 0.97547507 1.0 Ni Ni8 1 0.50000000 0.69010466 0.76386859 1.0 Ni Ni9 1 0.00000000 0.27579269 0.66577096 1.0 Ni Ni10 1 0.00000000 0.24716964 0.90277538 1.0 Ni Ni11 1 0.00000000 0.69437184 0.57197441 1.0 Ni Ni12 1 0.50000000 0.09589681 0.58436036 1.0 Ni Ni13 1 0.00000000 0.31296756 0.27065382 1.0 Ni Ni14 1 0.00000000 0.58175722 0.31609742 1.0 Ni Ni15 1 0.00000000 0.90819643 0.08625052 1.0 Ni Ni16 1 0.00000000 0.94453741 0.47602117 1.0 Ni Ni17 1 0.50000000 0.72951944 0.16992202 1.0 P P18 1 0.00000000 0.81982003 0.28792376 1.0 P P19 1 0.00000000 0.19003424 0.46277620 1.0 P P20 1 0.50000000 0.17841986 0.78653607 1.0 P P21 1 0.00000000 0.15577325 0.09689467 1.0 P P22 1 0.50000000 0.47987419 0.22313270 1.0 P P23 1 0.50000000 0.81418185 0.96281874 1.0 P P24 1 0.50000000 0.84791126 0.59446039 1.0 P P25 1 0.00000000 0.51961697 0.70953385 1.0