# generated using pymatgen data_LiPr(NdB12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13165527 _cell_length_b 7.13165634 _cell_length_c 5.86743089 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.17909247 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPr(NdB12)2 _chemical_formula_sum 'Li1 Pr1 Nd2 B24' _cell_volume 281.85711274 _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 0.74770552 0.25229448 0.50000000 1.0 Pr Pr1 1 0.99773111 0.00226889 0.00000000 1.0 Nd Nd2 1 0.50239648 0.49760352 0.00000000 1.0 Nd Nd3 1 0.25019117 0.74980883 0.50000000 1.0 B B4 1 0.17468504 0.32578263 0.64816296 1.0 B B5 1 0.92507303 0.57435130 0.15005259 1.0 B B6 1 0.67421737 0.82531496 0.64816296 1.0 B B7 1 0.42564870 0.07492697 0.15005259 1.0 B B8 1 0.17468504 0.32578263 0.35183704 1.0 B B9 1 0.92507303 0.57435130 0.84994741 1.0 B B10 1 0.67421737 0.82531496 0.35183704 1.0 B B11 1 0.42564870 0.07492697 0.84994741 1.0 B B12 1 0.40145319 0.39836652 0.50000000 1.0 B B13 1 0.14981040 0.64975102 0.00000000 1.0 B B14 1 0.89835839 0.90106143 0.50000000 1.0 B B15 1 0.64977954 0.14959789 0.00000000 1.0 B B16 1 0.32586723 0.17441000 0.64818105 1.0 B B17 1 0.07481557 0.42522040 0.15006190 1.0 B B18 1 0.82559000 0.67413277 0.64818105 1.0 B B19 1 0.57477960 0.92518443 0.15006190 1.0 B B20 1 0.09893857 0.10164161 0.50000000 1.0 B B21 1 0.85040211 0.35022046 0.00000000 1.0 B B22 1 0.60163348 0.59854681 0.50000000 1.0 B B23 1 0.35024898 0.85018960 0.00000000 1.0 B B24 1 0.32586723 0.17441000 0.35181895 1.0 B B25 1 0.07481557 0.42522040 0.84993810 1.0 B B26 1 0.82559000 0.67413277 0.35181895 1.0 B B27 1 0.57477960 0.92518443 0.84993810 1.0