# generated using pymatgen data_Tb19MgRu12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.74991254 _cell_length_b 10.74991254 _cell_length_c 6.32423725 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb19MgRu12 _chemical_formula_sum 'Tb19 Mg1 Ru12' _cell_volume 730.83277531 _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 0.28297247 0.08446217 0.38147923 1.0 Tb Tb1 1 0.29238041 0.91361683 0.88134008 1.0 Tb Tb2 1 0.70761959 0.08638317 0.88134008 1.0 Tb Tb3 1 0.71702753 0.91553783 0.38147923 1.0 Tb Tb4 1 0.58807670 0.79242358 0.87920201 1.0 Tb Tb5 1 0.58493627 0.20722948 0.37768146 1.0 Tb Tb6 1 0.41506373 0.79277052 0.37768146 1.0 Tb Tb7 1 0.41192330 0.20757642 0.87920201 1.0 Tb Tb8 1 0.20722948 0.41506373 0.62231854 1.0 Tb Tb9 1 0.20757642 0.58807670 0.12079799 1.0 Tb Tb10 1 0.79242358 0.41192330 0.12079799 1.0 Tb Tb11 1 0.79277052 0.58493627 0.62231854 1.0 Tb Tb12 1 0.91361683 0.70761959 0.11865992 1.0 Tb Tb13 1 0.91553783 0.28297247 0.61852077 1.0 Tb Tb14 1 0.08446217 0.71702753 0.61852077 1.0 Tb Tb15 1 0.08638317 0.29238041 0.11865992 1.0 Tb Tb16 1 0.00000000 0.00000000 0.00000000 1.0 Tb Tb17 1 0.50000000 0.50000000 0.00000000 1.0 Tb Tb18 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg19 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru20 1 0.84648808 0.15526130 0.24405216 1.0 Ru Ru21 1 0.84473870 0.84648808 0.75594784 1.0 Ru Ru22 1 0.15526130 0.15351192 0.75594784 1.0 Ru Ru23 1 0.15351192 0.84473870 0.24405216 1.0 Ru Ru24 1 0.65290429 0.34540644 0.75015219 1.0 Ru Ru25 1 0.65459356 0.65290429 0.24984781 1.0 Ru Ru26 1 0.34540644 0.34709571 0.24984781 1.0 Ru Ru27 1 0.34709571 0.65459356 0.75015219 1.0 Ru Ru28 1 0.50000000 0.00000000 0.13436059 1.0 Ru Ru29 1 0.50000000 0.00000000 0.63083601 1.0 Ru Ru30 1 0.00000000 0.50000000 0.86563941 1.0 Ru Ru31 1 0.00000000 0.50000000 0.36916399 1.0