# generated using pymatgen data_Nd2Be25Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30963942 _cell_length_b 7.32227060 _cell_length_c 7.31125132 _cell_angle_alpha 60.19750514 _cell_angle_beta 60.10704552 _cell_angle_gamma 59.95739667 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Be25Ni _chemical_formula_sum 'Nd2 Be25 Ni1' _cell_volume 277.25092301 _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 Nd Nd0 1 0.74947497 0.75127286 0.74804091 1.0 Nd Nd1 1 0.24878874 0.25195909 0.24872714 1.0 Be Be2 1 0.56666464 0.78784252 0.21215748 1.0 Be Be3 1 0.20678466 0.43899197 0.56100803 1.0 Be Be4 1 0.43573969 0.21063416 0.78936584 1.0 Be Be5 1 0.43696650 0.78851804 0.56355569 1.0 Be Be6 1 0.56319990 0.43672411 0.78886102 1.0 Be Be7 1 0.78904024 0.43644431 0.21148196 1.0 Be Be8 1 0.78878503 0.21113898 0.56327589 1.0 Be Be9 1 0.21101161 0.56307362 0.78847417 1.0 Be Be10 1 0.43694755 0.56361535 0.20994568 1.0 Be Be11 1 0.56255941 0.21152583 0.43692638 1.0 Be Be12 1 0.21050959 0.79005432 0.43638465 1.0 Be Be13 1 0.93650526 0.71121001 0.06455406 1.0 Be Be14 1 0.71226934 0.93544594 0.28878999 1.0 Be Be15 1 0.06356794 0.28826017 0.93636683 1.0 Be Be16 1 0.28819494 0.06363317 0.71173983 1.0 Be Be17 1 0.71081061 0.06385999 0.93614001 1.0 Be Be18 1 0.06423409 0.93273725 0.71514376 1.0 Be Be19 1 0.06447881 0.71337461 0.28662539 1.0 Be Be20 1 0.28772304 0.71254654 0.93640249 1.0 Be Be21 1 0.93377933 0.28846979 0.71153021 1.0 Be Be22 1 0.93667207 0.06359751 0.28745346 1.0 Be Be23 1 0.28845898 0.93612576 0.06387424 1.0 Be Be24 1 0.71211509 0.28485624 0.06726275 1.0 Be Be25 1 0.50145232 0.50073735 0.49926265 1.0 Be Be26 1 0.99970526 0.00142062 0.99857938 1.0 Ni Ni27 1 0.79355937 0.56192489 0.43807511 1.0