# generated using pymatgen data_TmPaReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69469644 _cell_length_b 9.11410402 _cell_length_c 11.46089963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmPaReB6 _chemical_formula_sum 'Tm4 Pa4 Re4 B24' _cell_volume 385.93258840 _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 Tm Tm0 1 0.00000000 0.94496288 0.37459391 1.0 Tm Tm1 1 0.00000000 0.05503712 0.62540609 1.0 Tm Tm2 1 0.00000000 0.44496288 0.12540609 1.0 Tm Tm3 1 0.00000000 0.55503712 0.87459391 1.0 Pa Pa4 1 0.00000000 0.32267300 0.41340405 1.0 Pa Pa5 1 0.00000000 0.67732700 0.58659595 1.0 Pa Pa6 1 0.00000000 0.82267300 0.08659595 1.0 Pa Pa7 1 0.00000000 0.17732700 0.91340405 1.0 Re Re8 1 0.00000000 0.63879062 0.32129236 1.0 Re Re9 1 0.00000000 0.36120938 0.67870764 1.0 Re Re10 1 0.00000000 0.13879062 0.17870764 1.0 Re Re11 1 0.00000000 0.86120938 0.82129236 1.0 B B12 1 0.50000000 0.55341176 0.43318817 1.0 B B13 1 0.50000000 0.44658824 0.56681183 1.0 B B14 1 0.50000000 0.05341176 0.06681183 1.0 B B15 1 0.50000000 0.94658824 0.93318817 1.0 B B16 1 0.50000000 0.74910884 0.41972212 1.0 B B17 1 0.50000000 0.25089116 0.58027788 1.0 B B18 1 0.50000000 0.24910884 0.08027788 1.0 B B19 1 0.50000000 0.75089116 0.91972212 1.0 B B20 1 0.50000000 0.79365593 0.26607456 1.0 B B21 1 0.50000000 0.20634407 0.73392544 1.0 B B22 1 0.50000000 0.29365593 0.23392544 1.0 B B23 1 0.50000000 0.70634407 0.76607456 1.0 B B24 1 0.50000000 0.63281664 0.18488578 1.0 B B25 1 0.50000000 0.36718336 0.81511422 1.0 B B26 1 0.50000000 0.13281664 0.31511422 1.0 B B27 1 0.50000000 0.86718336 0.68488578 1.0 B B28 1 0.50000000 0.98266363 0.21409258 1.0 B B29 1 0.50000000 0.01733637 0.78590742 1.0 B B30 1 0.50000000 0.48266363 0.28590742 1.0 B B31 1 0.50000000 0.51733637 0.71409258 1.0 B B32 1 0.50000000 0.60946455 0.03031936 1.0 B B33 1 0.50000000 0.39053545 0.96968064 1.0 B B34 1 0.50000000 0.10946455 0.46968064 1.0 B B35 1 0.50000000 0.89053545 0.53031936 1.0