# generated using pymatgen data_CaGdB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11464184 _cell_length_b 4.11464184 _cell_length_c 8.23953308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGdB12 _chemical_formula_sum 'Ca1 Gd1 B12' _cell_volume 139.49758122 _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 Ca Ca0 1 0.00000000 0.00000000 0.50000000 1.0 Gd Gd1 1 0.00000000 0.00000000 0.00000000 1.0 B B2 1 0.20019867 0.50000000 0.24905821 1.0 B B3 1 0.20019867 0.50000000 0.75094179 1.0 B B4 1 0.50000000 0.50000000 0.39928077 1.0 B B5 1 0.50000000 0.50000000 0.90050549 1.0 B B6 1 0.50000000 0.20019867 0.24905821 1.0 B B7 1 0.50000000 0.20019867 0.75094179 1.0 B B8 1 0.50000000 0.50000000 0.09949451 1.0 B B9 1 0.50000000 0.50000000 0.60071923 1.0 B B10 1 0.50000000 0.79980133 0.24905821 1.0 B B11 1 0.50000000 0.79980133 0.75094179 1.0 B B12 1 0.79980133 0.50000000 0.24905821 1.0 B B13 1 0.79980133 0.50000000 0.75094179 1.0