# generated using pymatgen data_Tm4Sc(GeB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11894106 _cell_length_b 7.11894106 _cell_length_c 7.84457589 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4Sc(GeB4)2 _chemical_formula_sum 'Tm8 Sc2 Ge4 B16' _cell_volume 397.55778558 _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 Tm Tm0 1 0.68056815 0.18056815 0.22465573 1.0 Tm Tm1 1 0.31943185 0.81943185 0.77534427 1.0 Tm Tm2 1 0.31943185 0.81943185 0.22465573 1.0 Tm Tm3 1 0.81943185 0.68056815 0.22465573 1.0 Tm Tm4 1 0.81943185 0.68056815 0.77534427 1.0 Tm Tm5 1 0.68056815 0.18056815 0.77534427 1.0 Tm Tm6 1 0.18056815 0.31943185 0.77534427 1.0 Tm Tm7 1 0.18056815 0.31943185 0.22465573 1.0 Sc Sc8 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc9 1 0.50000000 0.50000000 0.50000000 1.0 Ge Ge10 1 0.12279430 0.62279430 0.50000000 1.0 Ge Ge11 1 0.87720570 0.37720570 0.50000000 1.0 Ge Ge12 1 0.37720570 0.12279430 0.50000000 1.0 Ge Ge13 1 0.62279430 0.87720570 0.50000000 1.0 B B14 1 0.17245427 0.03965171 0.00000000 1.0 B B15 1 0.82754573 0.96034829 0.00000000 1.0 B B16 1 0.96034829 0.17245427 0.00000000 1.0 B B17 1 0.32754573 0.53965171 0.00000000 1.0 B B18 1 0.03965171 0.82754573 0.00000000 1.0 B B19 1 0.67245427 0.46034829 0.00000000 1.0 B B20 1 0.53965171 0.67245427 0.00000000 1.0 B B21 1 0.46034829 0.32754573 0.00000000 1.0 B B22 1 0.09032338 0.59032338 0.00000000 1.0 B B23 1 0.90967662 0.40967662 0.00000000 1.0 B B24 1 0.40967662 0.09032338 0.00000000 1.0 B B25 1 0.59032338 0.90967662 0.00000000 1.0 B B26 1 0.00000000 0.00000000 0.16853793 1.0 B B27 1 0.00000000 0.00000000 0.83146207 1.0 B B28 1 0.50000000 0.50000000 0.83146207 1.0 B B29 1 0.50000000 0.50000000 0.16853793 1.0