# generated using pymatgen data_TbTh3(CoB4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89800260 _cell_length_b 6.89800284 _cell_length_c 6.89800310 _cell_angle_alpha 112.51580520 _cell_angle_beta 112.51580876 _cell_angle_gamma 103.53995397 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTh3(CoB4)4 _chemical_formula_sum 'Tb1 Th3 Co4 B16' _cell_volume 250.66465793 _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 Tb Tb0 1 0.25000000 0.75000000 0.50000000 1.0 Th Th1 1 0.21472835 0.21472835 0.00000000 1.0 Th Th2 1 0.78527165 0.78527165 1.00000000 1.0 Th Th3 1 0.75000000 0.25000000 0.50000000 1.0 Co Co4 1 0.50007941 0.27030689 0.77022748 1.0 Co Co5 1 0.50007941 0.72985194 0.22977252 1.0 Co Co6 1 0.72969311 0.49992059 0.22977252 1.0 Co Co7 1 0.27014806 0.49992059 0.77022748 1.0 B B8 1 0.11208149 0.27699046 0.38923462 1.0 B B9 1 0.88775585 0.72284687 0.61076538 1.0 B B10 1 0.88775585 0.27699046 0.16490998 1.0 B B11 1 0.11208149 0.72284687 0.83509002 1.0 B B12 1 0.72300954 0.88791851 0.61076538 1.0 B B13 1 0.27715313 0.11224415 0.38923462 1.0 B B14 1 0.72300954 0.11224415 0.83509002 1.0 B B15 1 0.27715313 0.88791851 0.16490998 1.0 B B16 1 0.41717807 0.41975824 0.53777890 1.0 B B17 1 0.88197934 0.87939917 0.46222110 1.0 B B18 1 0.58024176 0.11802066 0.99741883 1.0 B B19 1 0.12060083 0.58282193 0.00258117 1.0 B B20 1 0.58024176 0.58282193 0.46222110 1.0 B B21 1 0.12060083 0.11802066 0.53777890 1.0 B B22 1 0.88197934 0.41975824 0.00258117 1.0 B B23 1 0.41717807 0.87939917 0.99741883 1.0