# generated using pymatgen data_Li(Er2B7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16245634 _cell_length_b 7.16245634 _cell_length_c 7.50424608 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li(Er2B7)2 _chemical_formula_sum 'Li2 Er8 B28' _cell_volume 384.97368401 _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 Er Er2 1 0.19681272 0.32687607 0.00000000 1.0 Er Er3 1 0.67312393 0.19681272 0.00000000 1.0 Er Er4 1 0.32687607 0.80318728 0.00000000 1.0 Er Er5 1 0.69681272 0.17312393 0.50000000 1.0 Er Er6 1 0.30318728 0.82687607 0.50000000 1.0 Er Er7 1 0.80318728 0.67312393 0.00000000 1.0 Er Er8 1 0.82687607 0.69681272 0.50000000 1.0 Er Er9 1 0.17312393 0.30318728 0.50000000 1.0 B B10 1 0.17486428 0.03814704 0.23458757 1.0 B B11 1 0.96185296 0.17486428 0.23458757 1.0 B B12 1 0.03814704 0.82513572 0.23458757 1.0 B B13 1 0.67486428 0.46185296 0.26541243 1.0 B B14 1 0.32513572 0.53814704 0.26541243 1.0 B B15 1 0.82513572 0.96185296 0.23458757 1.0 B B16 1 0.53814704 0.67486428 0.26541243 1.0 B B17 1 0.46185296 0.32513572 0.26541243 1.0 B B18 1 0.82513572 0.96185296 0.76541243 1.0 B B19 1 0.03814704 0.82513572 0.76541243 1.0 B B20 1 0.96185296 0.17486428 0.76541243 1.0 B B21 1 0.32513572 0.53814704 0.73458757 1.0 B B22 1 0.67486428 0.46185296 0.73458757 1.0 B B23 1 0.17486428 0.03814704 0.76541243 1.0 B B24 1 0.46185296 0.32513572 0.73458757 1.0 B B25 1 0.53814704 0.67486428 0.73458757 1.0 B B26 1 0.08835626 0.58835626 0.25000000 1.0 B B27 1 0.41164374 0.08835626 0.25000000 1.0 B B28 1 0.58835626 0.91164374 0.25000000 1.0 B B29 1 0.91164374 0.41164374 0.25000000 1.0 B B30 1 0.91164374 0.41164374 0.75000000 1.0 B B31 1 0.58835626 0.91164374 0.75000000 1.0 B B32 1 0.41164374 0.08835626 0.75000000 1.0 B B33 1 0.08835626 0.58835626 0.75000000 1.0 B B34 1 0.00000000 0.00000000 0.38999970 1.0 B B35 1 0.50000000 0.50000000 0.11000030 1.0 B B36 1 0.00000000 0.00000000 0.61000030 1.0 B B37 1 0.50000000 0.50000000 0.88999970 1.0