# generated using pymatgen data_Tb2Be23Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31911172 _cell_length_b 7.32264838 _cell_length_c 7.32683254 _cell_angle_alpha 59.94915681 _cell_angle_beta 59.99704645 _cell_angle_gamma 59.65696773 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Be23Cu3 _chemical_formula_sum 'Tb2 Be23 Cu3' _cell_volume 276.83011687 _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 Tb Tb0 1 0.25101930 0.25021619 0.25010666 1.0 Tb Tb1 1 0.74978381 0.74898070 0.75134215 1.0 Be Be2 1 0.50131484 0.49868516 0.50073623 1.0 Be Be3 1 0.00035511 0.99964489 0.00093754 1.0 Be Be4 1 0.06336209 0.93663791 0.28783022 1.0 Be Be5 1 0.93189026 0.06810974 0.71123840 1.0 Be Be6 1 0.93647849 0.29034811 0.06619260 1.0 Be Be7 1 0.70965189 0.06352151 0.29301820 1.0 Be Be8 1 0.56437793 0.78830483 0.43770052 1.0 Be Be9 1 0.43586005 0.78363141 0.21028298 1.0 Be Be10 1 0.78704696 0.43717402 0.56394949 1.0 Be Be11 1 0.43903613 0.21024944 0.56318772 1.0 Be Be12 1 0.78975056 0.56096387 0.21247328 1.0 Be Be13 1 0.56282598 0.21295304 0.78817047 1.0 Be Be14 1 0.21169517 0.43562207 0.79038428 1.0 Be Be15 1 0.21636859 0.56413995 0.42977444 1.0 Be Be16 1 0.70485283 0.29514717 0.93748026 1.0 Be Be17 1 0.29515825 0.06222751 0.93625779 1.0 Be Be18 1 0.29476695 0.93477054 0.71007153 1.0 Be Be19 1 0.06522946 0.70523305 0.93961003 1.0 Be Be20 1 0.93777249 0.70484175 0.29364255 1.0 Be Be21 1 0.29491253 0.70508747 0.06275076 1.0 Be Be22 1 0.56532484 0.43467516 0.21113749 1.0 Be Be23 1 0.79127627 0.20872373 0.43665594 1.0 Be Be24 1 0.43491383 0.56508617 0.78866241 1.0 Cu Cu25 1 0.20172566 0.79827434 0.56115450 1.0 Cu Cu26 1 0.06165539 0.29840366 0.70259626 1.0 Cu Cu27 1 0.70159634 0.93834461 0.06265531 1.0