# generated using pymatgen data_Er3Pa(ReB6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68240453 _cell_length_b 9.11386061 _cell_length_c 11.47000803 _cell_angle_alpha 90.31706098 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3Pa(ReB6)2 _chemical_formula_sum 'Er6 Pa2 Re4 B24' _cell_volume 384.93814655 _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 Er Er0 1 0.00000000 0.82380642 0.08525056 1.0 Er Er1 1 0.00000000 0.17619358 0.91474944 1.0 Er Er2 1 0.00000000 0.94474991 0.37227714 1.0 Er Er3 1 0.00000000 0.05525009 0.62772286 1.0 Er Er4 1 0.00000000 0.44355888 0.12636613 1.0 Er Er5 1 0.00000000 0.55644112 0.87363387 1.0 Pa Pa6 1 0.00000000 0.32142330 0.41306846 1.0 Pa Pa7 1 0.00000000 0.67857670 0.58693154 1.0 Re Re8 1 0.00000000 0.63572452 0.32442659 1.0 Re Re9 1 0.00000000 0.36427548 0.67557341 1.0 Re Re10 1 0.00000000 0.14027648 0.18162641 1.0 Re Re11 1 0.00000000 0.85972352 0.81837359 1.0 B B12 1 0.50000000 0.55347845 0.43292147 1.0 B B13 1 0.50000000 0.44652155 0.56707853 1.0 B B14 1 0.50000000 0.05330788 0.06702975 1.0 B B15 1 0.50000000 0.94669212 0.93297025 1.0 B B16 1 0.50000000 0.74891458 0.41908236 1.0 B B17 1 0.50000000 0.25108542 0.58091764 1.0 B B18 1 0.50000000 0.24809621 0.07977960 1.0 B B19 1 0.50000000 0.75190379 0.92022040 1.0 B B20 1 0.50000000 0.79182919 0.26521966 1.0 B B21 1 0.50000000 0.20817081 0.73478034 1.0 B B22 1 0.50000000 0.29224035 0.23341120 1.0 B B23 1 0.50000000 0.70775965 0.76658880 1.0 B B24 1 0.50000000 0.63153435 0.18502380 1.0 B B25 1 0.50000000 0.36846565 0.81497620 1.0 B B26 1 0.50000000 0.13145531 0.31384631 1.0 B B27 1 0.50000000 0.86854469 0.68615369 1.0 B B28 1 0.50000000 0.98174264 0.21201980 1.0 B B29 1 0.50000000 0.01825736 0.78798020 1.0 B B30 1 0.50000000 0.48291307 0.28620481 1.0 B B31 1 0.50000000 0.51708693 0.71379519 1.0 B B32 1 0.50000000 0.60536252 0.02949932 1.0 B B33 1 0.50000000 0.39463748 0.97050068 1.0 B B34 1 0.50000000 0.10962254 0.46959676 1.0 B B35 1 0.50000000 0.89037746 0.53040324 1.0