# generated using pymatgen data_Er7Ti(ReB6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61545269 _cell_length_b 9.04087028 _cell_length_c 11.41309357 _cell_angle_alpha 90.02789381 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er7Ti(ReB6)4 _chemical_formula_sum 'Er7 Ti1 Re4 B24' _cell_volume 373.05790508 _cell_formula_units_Z 1 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 0.32390431 0.41344945 1.0 Er Er1 1 0.00000000 0.67687112 0.58697738 1.0 Er Er2 1 0.00000000 0.82156441 0.08579235 1.0 Er Er3 1 0.00000000 0.17741924 0.91469357 1.0 Er Er4 1 0.00000000 0.94365563 0.37059097 1.0 Er Er5 1 0.00000000 0.05728953 0.63188872 1.0 Er Er6 1 0.00000000 0.44464048 0.12505802 1.0 Ti Ti7 1 0.00000000 0.55779984 0.86704518 1.0 Re Re8 1 0.00000000 0.63790115 0.31887915 1.0 Re Re9 1 0.00000000 0.36756421 0.68598806 1.0 Re Re10 1 0.00000000 0.13914062 0.17753847 1.0 Re Re11 1 0.00000000 0.85244463 0.82170230 1.0 B B12 1 0.50000000 0.55298933 0.43313396 1.0 B B13 1 0.50000000 0.44819564 0.56812716 1.0 B B14 1 0.50000000 0.05172599 0.06586461 1.0 B B15 1 0.50000000 0.94293357 0.93389005 1.0 B B16 1 0.50000000 0.74956414 0.41863029 1.0 B B17 1 0.50000000 0.25243301 0.58331047 1.0 B B18 1 0.50000000 0.24985500 0.07963718 1.0 B B19 1 0.50000000 0.74334002 0.91872993 1.0 B B20 1 0.50000000 0.79262672 0.26435650 1.0 B B21 1 0.50000000 0.20935442 0.73772299 1.0 B B22 1 0.50000000 0.29300500 0.23378878 1.0 B B23 1 0.50000000 0.70328697 0.76617792 1.0 B B24 1 0.50000000 0.63053704 0.18386549 1.0 B B25 1 0.50000000 0.37449089 0.81788975 1.0 B B26 1 0.50000000 0.13190791 0.31456198 1.0 B B27 1 0.50000000 0.86709269 0.68589147 1.0 B B28 1 0.50000000 0.98197683 0.21186455 1.0 B B29 1 0.50000000 0.01590948 0.78967660 1.0 B B30 1 0.50000000 0.48108381 0.28691276 1.0 B B31 1 0.50000000 0.52127667 0.71483405 1.0 B B32 1 0.50000000 0.59860986 0.02147362 1.0 B B33 1 0.50000000 0.40613286 0.96801798 1.0 B B34 1 0.50000000 0.10265878 0.47327370 1.0 B B35 1 0.50000000 0.89881417 0.52876558 1.0