# generated using pymatgen data_Tb12Tc3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36316426 _cell_length_b 9.20415243 _cell_length_c 6.31483333 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.03279103 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb12Tc3Ru _chemical_formula_sum 'Tb12 Tc3 Ru1' _cell_volume 427.96683239 _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 0.95027676 0.75000000 0.13004415 1.0 Tb Tb1 1 0.67668620 0.06576979 0.16571011 1.0 Tb Tb2 1 0.67668620 0.43422921 0.16571011 1.0 Tb Tb3 1 0.17574601 0.06476570 0.33669332 1.0 Tb Tb4 1 0.17574601 0.43523330 0.33669332 1.0 Tb Tb5 1 0.45196412 0.75000000 0.36612559 1.0 Tb Tb6 1 0.54724094 0.25000000 0.62957774 1.0 Tb Tb7 1 0.82422523 0.56444931 0.66471053 1.0 Tb Tb8 1 0.82422523 0.93554969 0.66471053 1.0 Tb Tb9 1 0.32427950 0.56491905 0.83627038 1.0 Tb Tb10 1 0.32427950 0.93507995 0.83627038 1.0 Tb Tb11 1 0.04667588 0.25000000 0.87095572 1.0 Tc Tc12 1 0.38969076 0.25000000 0.03402781 1.0 Tc Tc13 1 0.88766880 0.25000000 0.46521647 1.0 Tc Tc14 1 0.11218185 0.75000000 0.53305303 1.0 Ru Ru15 1 0.61242802 0.75000000 0.96422283 1.0