# generated using pymatgen data_Li2Nd3ZrIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35188126 _cell_length_b 7.44714214 _cell_length_c 4.09602204 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.57774297 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Nd3ZrIr3 _chemical_formula_sum 'Li2 Nd3 Zr1 Ir3' _cell_volume 195.03531738 _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 Li Li0 1 0.00562971 0.24259764 0.50000000 1.0 Li Li1 1 0.76303206 0.75740236 0.50000000 1.0 Nd Nd2 1 0.60982463 1.00000000 0.00000000 1.0 Nd Nd3 1 0.98756524 0.56938721 0.00000000 1.0 Nd Nd4 1 0.41817803 0.43061279 0.00000000 1.0 Zr Zr5 1 0.24049343 0.00000000 0.50000000 1.0 Ir Ir6 1 0.32002871 0.68616307 0.50000000 1.0 Ir Ir7 1 0.63386564 0.31383693 0.50000000 1.0 Ir Ir8 1 0.02138254 1.00000000 0.00000000 1.0