# generated using pymatgen data_Tm4NiB13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24575700 _cell_length_b 7.24575700 _cell_length_c 6.78485100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4NiB13 _chemical_formula_sum 'Tm8 Ni2 B26' _cell_volume 356.21142506 _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 0.68469200 0.18006400 0.50000000 1.0 Tm Tm1 1 0.31530800 0.81993600 0.50000000 1.0 Tm Tm2 1 0.18469200 0.31993600 0.00000000 1.0 Tm Tm3 1 0.81530800 0.68006400 0.00000000 1.0 Tm Tm4 1 0.81993600 0.68469200 0.50000000 1.0 Tm Tm5 1 0.18006400 0.31530800 0.50000000 1.0 Tm Tm6 1 0.68006400 0.18469200 0.00000000 1.0 Tm Tm7 1 0.31993600 0.81530800 0.00000000 1.0 Ni Ni8 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni9 1 0.00000000 0.00000000 0.00000000 1.0 B B10 1 0.50000000 0.50000000 0.00000000 1.0 B B11 1 0.00000000 0.00000000 0.50000000 1.0 B B12 1 0.90866000 0.40866000 0.25000000 1.0 B B13 1 0.09134000 0.59134000 0.25000000 1.0 B B14 1 0.40866000 0.09134000 0.75000000 1.0 B B15 1 0.59134000 0.90866000 0.75000000 1.0 B B16 1 0.59134000 0.90866000 0.25000000 1.0 B B17 1 0.40866000 0.09134000 0.25000000 1.0 B B18 1 0.90866000 0.40866000 0.75000000 1.0 B B19 1 0.09134000 0.59134000 0.75000000 1.0 B B20 1 0.53973100 0.67099500 0.24342200 1.0 B B21 1 0.46026900 0.32900500 0.24342200 1.0 B B22 1 0.03973100 0.82900500 0.74342200 1.0 B B23 1 0.96026900 0.17099500 0.74342200 1.0 B B24 1 0.32900500 0.53973100 0.24342200 1.0 B B25 1 0.67099500 0.46026900 0.24342200 1.0 B B26 1 0.17099500 0.03973100 0.74342200 1.0 B B27 1 0.82900500 0.96026900 0.74342200 1.0 B B28 1 0.46026900 0.32900500 0.75657800 1.0 B B29 1 0.53973100 0.67099500 0.75657800 1.0 B B30 1 0.96026900 0.17099500 0.25657800 1.0 B B31 1 0.03973100 0.82900500 0.25657800 1.0 B B32 1 0.67099500 0.46026900 0.75657800 1.0 B B33 1 0.32900500 0.53973100 0.75657800 1.0 B B34 1 0.82900500 0.96026900 0.25657800 1.0 B B35 1 0.17099500 0.03973100 0.25657800 1.0