# generated using pymatgen data_Be13Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.71233084 _cell_length_b 9.71233084 _cell_length_c 9.71233084 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be13Mo _chemical_formula_sum 'Be52 Mo4' _cell_volume 647.82157226 _cell_formula_units_Z 4 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 Be Be0 1 0.96986900 0.32245700 0.73780500 1.0 Be Be1 1 0.32245700 0.96986900 0.96986900 1.0 Be Be2 1 0.73780500 0.96986900 0.96986900 1.0 Be Be3 1 0.73780500 0.96986900 0.32245700 1.0 Be Be4 1 0.28013100 0.92754300 0.28013100 1.0 Be Be5 1 0.28013100 0.92754300 0.51219500 1.0 Be Be6 1 0.96986900 0.73780500 0.32245700 1.0 Be Be7 1 0.96986900 0.32245700 0.96986900 1.0 Be Be8 1 0.92754300 0.28013100 0.51219500 1.0 Be Be9 1 0.92754300 0.28013100 0.28013100 1.0 Be Be10 1 0.96986900 0.73780500 0.96986900 1.0 Be Be11 1 0.51219500 0.28013100 0.92754300 1.0 Be Be12 1 0.51219500 0.28013100 0.28013100 1.0 Be Be13 1 0.32245700 0.96986900 0.73780500 1.0 Be Be14 1 0.28013100 0.51219500 0.28013100 1.0 Be Be15 1 0.28013100 0.51219500 0.92754300 1.0 Be Be16 1 0.32245700 0.73780500 0.96986900 1.0 Be Be17 1 0.96986900 0.96986900 0.73780500 1.0 Be Be18 1 0.73780500 0.32245700 0.96986900 1.0 Be Be19 1 0.96986900 0.96986900 0.32245700 1.0 Be Be20 1 0.28013100 0.28013100 0.92754300 1.0 Be Be21 1 0.51219500 0.92754300 0.28013100 1.0 Be Be22 1 0.28013100 0.28013100 0.51219500 1.0 Be Be23 1 0.92754300 0.51219500 0.28013100 1.0 Be Be24 1 0.50000000 0.50000000 0.50000000 1.0 Be Be25 1 0.75000000 0.75000000 0.75000000 1.0 Be Be26 1 0.00000000 0.00000000 0.00000000 1.0 Be Be27 1 0.25000000 0.25000000 0.25000000 1.0 Be Be28 1 0.72483200 0.50924800 0.50924800 1.0 Be Be29 1 0.50924800 0.72483200 0.25667200 1.0 Be Be30 1 0.50924800 0.25667200 0.72483200 1.0 Be Be31 1 0.50924800 0.72483200 0.50924800 1.0 Be Be32 1 0.52516800 0.74075200 0.99332800 1.0 Be Be33 1 0.52516800 0.74075200 0.74075200 1.0 Be Be34 1 0.25667200 0.50924800 0.50924800 1.0 Be Be35 1 0.25667200 0.50924800 0.72483200 1.0 Be Be36 1 0.74075200 0.52516800 0.74075200 1.0 Be Be37 1 0.74075200 0.52516800 0.99332800 1.0 Be Be38 1 0.72483200 0.50924800 0.25667200 1.0 Be Be39 1 0.74075200 0.99332800 0.74075200 1.0 Be Be40 1 0.74075200 0.99332800 0.52516800 1.0 Be Be41 1 0.50924800 0.25667200 0.50924800 1.0 Be Be42 1 0.99332800 0.74075200 0.52516800 1.0 Be Be43 1 0.99332800 0.74075200 0.74075200 1.0 Be Be44 1 0.50924800 0.50924800 0.72483200 1.0 Be Be45 1 0.25667200 0.72483200 0.50924800 1.0 Be Be46 1 0.50924800 0.50924800 0.25667200 1.0 Be Be47 1 0.72483200 0.25667200 0.50924800 1.0 Be Be48 1 0.99332800 0.52516800 0.74075200 1.0 Be Be49 1 0.74075200 0.74075200 0.52516800 1.0 Be Be50 1 0.52516800 0.99332800 0.74075200 1.0 Be Be51 1 0.74075200 0.74075200 0.99332800 1.0 Mo Mo52 1 0.12500000 0.12500000 0.12500000 1.0 Mo Mo53 1 0.12500000 0.12500000 0.62500000 1.0 Mo Mo54 1 0.12500000 0.62500000 0.12500000 1.0 Mo Mo55 1 0.62500000 0.12500000 0.12500000 1.0