# generated using pymatgen data_Tm2B4Mo2Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08847462 _cell_length_b 8.80896802 _cell_length_c 10.11097351 _cell_angle_alpha 89.99490673 _cell_angle_beta 89.99997048 _cell_angle_gamma 89.99999360 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2B4Mo2Ru3 _chemical_formula_sum 'Tm4 B8 Mo4 Ru6' _cell_volume 275.08191623 _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 0.50000000 0.83771388 0.18128359 1.0 Tm Tm1 1 0.50000000 0.16228612 0.81871641 1.0 Tm Tm2 1 0.50000100 0.66222961 0.68148089 1.0 Tm Tm3 1 0.49999900 0.33777039 0.31851911 1.0 B B4 1 0.50000000 0.96782749 0.58576666 1.0 B B5 1 0.50000000 0.03217251 0.41423334 1.0 B B6 1 0.50000000 0.85319847 0.90035474 1.0 B B7 1 0.50000000 0.14680153 0.09964526 1.0 B B8 1 0.50000000 0.64678179 0.40031513 1.0 B B9 1 0.50000000 0.35321821 0.59968487 1.0 B B10 1 0.50000000 0.46785185 0.91428655 1.0 B B11 1 0.50000000 0.53214815 0.08571345 1.0 Mo Mo12 1 0.00000000 0.66126522 0.95338654 1.0 Mo Mo13 1 1.00000000 0.33873478 0.04661346 1.0 Mo Mo14 1 0.00000100 0.83871374 0.45333600 1.0 Mo Mo15 1 0.99999900 0.16128626 0.54666400 1.0 Ru Ru16 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru17 1 0.00000100 0.41018868 0.76059018 1.0 Ru Ru18 1 0.99999900 0.58981132 0.23940982 1.0 Ru Ru19 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru20 1 0.00000100 0.91017061 0.73953618 1.0 Ru Ru21 1 0.99999900 0.08982939 0.26046382 1.0