# generated using pymatgen data_Lu5(GeB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11469121 _cell_length_b 7.11469121 _cell_length_c 7.87436549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5(GeB4)2 _chemical_formula_sum 'Lu10 Ge4 B16' _cell_volume 398.59117632 _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 Lu Lu0 1 0.68048752 0.18048752 0.22085681 1.0 Lu Lu1 1 0.31951248 0.81951248 0.77914319 1.0 Lu Lu2 1 0.31951248 0.81951248 0.22085681 1.0 Lu Lu3 1 0.81951248 0.68048752 0.22085681 1.0 Lu Lu4 1 0.81951248 0.68048752 0.77914319 1.0 Lu Lu5 1 0.68048752 0.18048752 0.77914319 1.0 Lu Lu6 1 0.18048752 0.31951248 0.77914319 1.0 Lu Lu7 1 0.18048752 0.31951248 0.22085681 1.0 Lu Lu8 1 0.00000000 0.00000000 0.50000000 1.0 Lu Lu9 1 0.50000000 0.50000000 0.50000000 1.0 Ge Ge10 1 0.12198397 0.62198397 0.50000000 1.0 Ge Ge11 1 0.87801603 0.37801603 0.50000000 1.0 Ge Ge12 1 0.37801603 0.12198397 0.50000000 1.0 Ge Ge13 1 0.62198397 0.87801603 0.50000000 1.0 B B14 1 0.17255195 0.03954235 0.00000000 1.0 B B15 1 0.82744805 0.96045765 0.00000000 1.0 B B16 1 0.96045765 0.17255195 0.00000000 1.0 B B17 1 0.32744805 0.53954235 0.00000000 1.0 B B18 1 0.03954235 0.82744805 0.00000000 1.0 B B19 1 0.67255195 0.46045765 0.00000000 1.0 B B20 1 0.53954235 0.67255195 0.00000000 1.0 B B21 1 0.46045765 0.32744805 0.00000000 1.0 B B22 1 0.09031052 0.59031052 0.00000000 1.0 B B23 1 0.90968948 0.40968948 0.00000000 1.0 B B24 1 0.40968948 0.09031052 0.00000000 1.0 B B25 1 0.59031052 0.90968948 0.00000000 1.0 B B26 1 0.00000000 0.00000000 0.16801431 1.0 B B27 1 0.00000000 0.00000000 0.83198569 1.0 B B28 1 0.50000000 0.50000000 0.83198569 1.0 B B29 1 0.50000000 0.50000000 0.16801431 1.0