# generated using pymatgen data_Tb3Pa(ReB6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71635756 _cell_length_b 9.19868445 _cell_length_c 11.54514819 _cell_angle_alpha 90.38932639 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Pa(ReB6)2 _chemical_formula_sum 'Tb6 Pa2 Re4 B24' _cell_volume 394.66871214 _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 Tb Tb0 1 0.00000000 0.82477619 0.08577451 1.0 Tb Tb1 1 0.00000000 0.17522381 0.91422549 1.0 Tb Tb2 1 0.00000000 0.94509932 0.37337633 1.0 Tb Tb3 1 0.00000000 0.05490068 0.62662367 1.0 Tb Tb4 1 0.00000000 0.44398110 0.12628297 1.0 Tb Tb5 1 0.00000000 0.55601890 0.87371703 1.0 Pa Pa6 1 0.00000000 0.32297163 0.41262923 1.0 Pa Pa7 1 0.00000000 0.67702837 0.58737077 1.0 Re Re8 1 0.00000000 0.63502844 0.32602491 1.0 Re Re9 1 0.00000000 0.36497156 0.67397509 1.0 Re Re10 1 0.00000000 0.14079697 0.18218634 1.0 Re Re11 1 0.00000000 0.85920303 0.81781366 1.0 B B12 1 0.50000000 0.55260779 0.43303013 1.0 B B13 1 0.50000000 0.44739221 0.56696987 1.0 B B14 1 0.50000000 0.05355857 0.06787957 1.0 B B15 1 0.50000000 0.94644143 0.93212043 1.0 B B16 1 0.50000000 0.74619163 0.41999787 1.0 B B17 1 0.50000000 0.25380837 0.58000213 1.0 B B18 1 0.50000000 0.24694681 0.08027019 1.0 B B19 1 0.50000000 0.75305319 0.91972981 1.0 B B20 1 0.50000000 0.79089394 0.26713473 1.0 B B21 1 0.50000000 0.20910606 0.73286527 1.0 B B22 1 0.50000000 0.29240953 0.23301210 1.0 B B23 1 0.50000000 0.70759047 0.76698790 1.0 B B24 1 0.50000000 0.63235084 0.18665997 1.0 B B25 1 0.50000000 0.36764916 0.81334003 1.0 B B26 1 0.50000000 0.13380925 0.31315832 1.0 B B27 1 0.50000000 0.86619075 0.68684168 1.0 B B28 1 0.50000000 0.98358486 0.21273435 1.0 B B29 1 0.50000000 0.01641514 0.78726565 1.0 B B30 1 0.50000000 0.48360864 0.28699978 1.0 B B31 1 0.50000000 0.51639136 0.71300022 1.0 B B32 1 0.50000000 0.60894352 0.03072934 1.0 B B33 1 0.50000000 0.39105648 0.96927066 1.0 B B34 1 0.50000000 0.11896377 0.46700732 1.0 B B35 1 0.50000000 0.88103623 0.53299268 1.0