# generated using pymatgen data_Lu4Ta(GeB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06069910 _cell_length_b 7.06069910 _cell_length_c 7.55857484 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4Ta(GeB4)2 _chemical_formula_sum 'Lu8 Ta2 Ge4 B16' _cell_volume 376.82119728 _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 0.67877833 0.17877833 0.23119300 1.0 Lu Lu1 1 0.32122167 0.82122167 0.76880700 1.0 Lu Lu2 1 0.32122167 0.82122167 0.23119300 1.0 Lu Lu3 1 0.82122167 0.67877833 0.23119300 1.0 Lu Lu4 1 0.82122167 0.67877833 0.76880700 1.0 Lu Lu5 1 0.67877833 0.17877833 0.76880700 1.0 Lu Lu6 1 0.17877833 0.32122167 0.76880700 1.0 Lu Lu7 1 0.17877833 0.32122167 0.23119300 1.0 Ta Ta8 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta9 1 0.50000000 0.50000000 0.50000000 1.0 Ge Ge10 1 0.13068663 0.63068663 0.50000000 1.0 Ge Ge11 1 0.86931337 0.36931337 0.50000000 1.0 Ge Ge12 1 0.36931337 0.13068663 0.50000000 1.0 Ge Ge13 1 0.63068663 0.86931337 0.50000000 1.0 B B14 1 0.17245168 0.03922246 0.00000000 1.0 B B15 1 0.82754832 0.96077754 0.00000000 1.0 B B16 1 0.96077754 0.17245168 0.00000000 1.0 B B17 1 0.32754832 0.53922246 0.00000000 1.0 B B18 1 0.03922246 0.82754832 0.00000000 1.0 B B19 1 0.67245168 0.46077754 0.00000000 1.0 B B20 1 0.53922246 0.67245168 0.00000000 1.0 B B21 1 0.46077754 0.32754832 0.00000000 1.0 B B22 1 0.09052538 0.59052538 0.00000000 1.0 B B23 1 0.90947462 0.40947462 0.00000000 1.0 B B24 1 0.40947462 0.09052538 0.00000000 1.0 B B25 1 0.59052538 0.90947462 0.00000000 1.0 B B26 1 0.00000000 0.00000000 0.17741118 1.0 B B27 1 0.00000000 0.00000000 0.82258882 1.0 B B28 1 0.50000000 0.50000000 0.82258882 1.0 B B29 1 0.50000000 0.50000000 0.17741118 1.0