# generated using pymatgen data_Tb4TmRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.74202253 _cell_length_b 10.74202253 _cell_length_c 6.34191832 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4TmRu3 _chemical_formula_sum 'Tb16 Tm4 Ru12' _cell_volume 731.80060228 _cell_formula_units_Z 4 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 0.29068761 0.08603603 0.37751482 1.0 Tb Tb1 1 0.29068761 0.91396397 0.87751482 1.0 Tb Tb2 1 0.70931239 0.08603603 0.87751482 1.0 Tb Tb3 1 0.70931239 0.91396397 0.37751482 1.0 Tb Tb4 1 0.58603603 0.79068761 0.87751482 1.0 Tb Tb5 1 0.58603603 0.20931239 0.37751482 1.0 Tb Tb6 1 0.41396397 0.79068761 0.37751482 1.0 Tb Tb7 1 0.41396397 0.20931239 0.87751482 1.0 Tb Tb8 1 0.20931239 0.41396397 0.62248518 1.0 Tb Tb9 1 0.20931239 0.58603603 0.12248518 1.0 Tb Tb10 1 0.79068761 0.41396397 0.12248518 1.0 Tb Tb11 1 0.79068761 0.58603603 0.62248518 1.0 Tb Tb12 1 0.91396397 0.70931239 0.12248518 1.0 Tb Tb13 1 0.91396397 0.29068761 0.62248518 1.0 Tb Tb14 1 0.08603603 0.70931239 0.62248518 1.0 Tb Tb15 1 0.08603603 0.29068761 0.12248518 1.0 Tm Tm16 1 0.00000000 0.00000000 0.50000000 1.0 Tm Tm17 1 0.00000000 0.00000000 0.00000000 1.0 Tm Tm18 1 0.50000000 0.50000000 0.00000000 1.0 Tm Tm19 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru20 1 0.84865865 0.15134135 0.25000000 1.0 Ru Ru21 1 0.84865865 0.84865865 0.75000000 1.0 Ru Ru22 1 0.15134135 0.15134135 0.75000000 1.0 Ru Ru23 1 0.15134135 0.84865865 0.25000000 1.0 Ru Ru24 1 0.65134135 0.34865865 0.75000000 1.0 Ru Ru25 1 0.65134135 0.65134135 0.25000000 1.0 Ru Ru26 1 0.34865865 0.34865865 0.25000000 1.0 Ru Ru27 1 0.34865865 0.65134135 0.75000000 1.0 Ru Ru28 1 0.50000000 0.00000000 0.12967621 1.0 Ru Ru29 1 0.50000000 0.00000000 0.62967621 1.0 Ru Ru30 1 0.00000000 0.50000000 0.87032379 1.0 Ru Ru31 1 0.00000000 0.50000000 0.37032379 1.0