# generated using pymatgen data_LaGdB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12713448 _cell_length_b 4.12713346 _cell_length_c 8.25431433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00002110 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGdB12 _chemical_formula_sum 'La1 Gd1 B12' _cell_volume 140.59767415 _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 La La0 1 -0.00000000 0.00000000 0.50000000 1.0 Gd Gd1 1 -0.00000000 0.00000000 -0.00000000 1.0 B B2 1 0.19943323 0.50000000 0.24783728 1.0 B B3 1 0.19943323 0.50000000 0.75216272 1.0 B B4 1 0.50000000 0.50000000 0.39921673 1.0 B B5 1 0.50000000 0.50000000 0.90125464 1.0 B B6 1 0.50000000 0.19943323 0.24783728 1.0 B B7 1 0.50000000 0.19943323 0.75216272 1.0 B B8 1 0.50000000 0.50000000 0.09874536 1.0 B B9 1 0.50000000 0.50000000 0.60078327 1.0 B B10 1 0.50000000 0.80056677 0.24783728 1.0 B B11 1 0.50000000 0.80056677 0.75216272 1.0 B B12 1 0.80056677 0.50000000 0.24783728 1.0 B B13 1 0.80056677 0.50000000 0.75216272 1.0