# generated using pymatgen data_Ti3Be15Nb3Cu8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62243600 _cell_length_b 7.60495340 _cell_length_c 7.58431682 _cell_angle_alpha 60.24395344 _cell_angle_beta 60.01464542 _cell_angle_gamma 59.74661245 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Be15Nb3Cu8 _chemical_formula_sum 'Ti3 Be15 Nb3 Cu8' _cell_volume 310.87981777 _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 Ti Ti0 1 0.69791412 0.30207824 0.69791116 1.0 Ti Ti1 1 0.29398031 0.29506211 0.70493084 1.0 Ti Ti2 1 0.70493364 0.70600123 0.29399086 1.0 Be Be3 1 0.32485586 0.32518993 0.32692149 1.0 Be Be4 1 0.67439917 0.67277685 0.67169182 1.0 Be Be5 1 0.32723949 0.32555485 0.01881730 1.0 Be Be6 1 0.32686860 0.02315026 0.32482453 1.0 Be Be7 1 0.67488025 0.67518823 0.97691610 1.0 Be Be8 1 0.67160105 0.98121041 0.67443457 1.0 Be Be9 1 0.01891063 0.32829166 0.32724794 1.0 Be Be10 1 0.97688913 0.67313107 0.67482551 1.0 Be Be11 1 0.49878387 0.99805123 0.00190495 1.0 Be Be12 1 0.00191233 0.50119919 0.49882396 1.0 Be Be13 1 0.00082918 0.49914625 0.00084594 1.0 Be Be14 1 0.50080140 0.99916566 0.50085145 1.0 Be Be15 1 0.99983538 0.00015120 0.49854892 1.0 Be Be16 1 0.49858822 0.50140629 0.99985610 1.0 Be Be17 1 0.00111702 0.99888243 0.00114436 1.0 Nb Nb18 1 0.68589296 0.31408917 0.31253302 1.0 Nb Nb19 1 0.31253071 0.68745561 0.68588854 1.0 Nb Nb20 1 0.30863452 0.69135388 0.30863996 1.0 Cu Cu21 1 0.12033926 0.12335840 0.12353722 1.0 Cu Cu22 1 0.87953606 0.87833201 0.87582397 1.0 Cu Cu23 1 0.12167441 0.12047956 0.63371845 1.0 Cu Cu24 1 0.12359389 0.63273016 0.12031194 1.0 Cu Cu25 1 0.87663624 0.87968016 0.36725981 1.0 Cu Cu26 1 0.87587968 0.36628857 0.87951620 1.0 Cu Cu27 1 0.63370042 0.12415061 0.12165259 1.0 Cu Cu28 1 0.36724421 0.87644279 0.87663248 1.0