# generated using pymatgen data_Li(Lu2B7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11303638 _cell_length_b 7.11303638 _cell_length_c 7.40898619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li(Lu2B7)2 _chemical_formula_sum 'Li2 Lu8 B28' _cell_volume 374.85977938 _cell_formula_units_Z 2 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 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.50000000 0.50000000 0.50000000 1.0 Lu Lu2 1 0.19707144 0.32759645 0.00000000 1.0 Lu Lu3 1 0.67240355 0.19707144 0.00000000 1.0 Lu Lu4 1 0.32759645 0.80292856 0.00000000 1.0 Lu Lu5 1 0.69707144 0.17240355 0.50000000 1.0 Lu Lu6 1 0.30292856 0.82759645 0.50000000 1.0 Lu Lu7 1 0.80292856 0.67240355 0.00000000 1.0 Lu Lu8 1 0.82759645 0.69707144 0.50000000 1.0 Lu Lu9 1 0.17240355 0.30292856 0.50000000 1.0 B B10 1 0.17557957 0.03795204 0.23315300 1.0 B B11 1 0.96204796 0.17557957 0.23315300 1.0 B B12 1 0.03795204 0.82442043 0.23315300 1.0 B B13 1 0.67557957 0.46204796 0.26684700 1.0 B B14 1 0.32442043 0.53795204 0.26684700 1.0 B B15 1 0.82442043 0.96204796 0.23315300 1.0 B B16 1 0.53795204 0.67557957 0.26684700 1.0 B B17 1 0.46204796 0.32442043 0.26684700 1.0 B B18 1 0.82442043 0.96204796 0.76684700 1.0 B B19 1 0.03795204 0.82442043 0.76684700 1.0 B B20 1 0.96204796 0.17557957 0.76684700 1.0 B B21 1 0.32442043 0.53795204 0.73315300 1.0 B B22 1 0.67557957 0.46204796 0.73315300 1.0 B B23 1 0.17557957 0.03795204 0.76684700 1.0 B B24 1 0.46204796 0.32442043 0.73315300 1.0 B B25 1 0.53795204 0.67557957 0.73315300 1.0 B B26 1 0.08782602 0.58782602 0.25000000 1.0 B B27 1 0.41217398 0.08782602 0.25000000 1.0 B B28 1 0.58782602 0.91217398 0.25000000 1.0 B B29 1 0.91217398 0.41217398 0.25000000 1.0 B B30 1 0.91217398 0.41217398 0.75000000 1.0 B B31 1 0.58782602 0.91217398 0.75000000 1.0 B B32 1 0.41217398 0.08782602 0.75000000 1.0 B B33 1 0.08782602 0.58782602 0.75000000 1.0 B B34 1 0.00000000 0.00000000 0.38969665 1.0 B B35 1 0.50000000 0.50000000 0.11030335 1.0 B B36 1 0.00000000 0.00000000 0.61030335 1.0 B B37 1 0.50000000 0.50000000 0.88969665 1.0