# generated using pymatgen data_Be22Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.18387632 _cell_length_b 8.18387600 _cell_length_c 8.18381659 _cell_angle_alpha 60.00023607 _cell_angle_beta 60.00023737 _cell_angle_gamma 60.00049357 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be22Mo _chemical_formula_sum 'Be44 Mo2' _cell_volume 387.58071716 _cell_formula_units_Z 2 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 -0.00000000 0.00000000 0.00000000 1.0 Be Be1 1 -0.00000000 0.00000000 0.50000000 1.0 Be Be2 1 0.50000000 0.00000000 0.00000000 1.0 Be Be3 1 -0.00000000 0.50000000 0.00000000 1.0 Be Be4 1 0.50000000 0.50000000 0.50000000 1.0 Be Be5 1 0.50000000 0.50000000 0.00000000 1.0 Be Be6 1 -0.00000000 0.50000000 0.50000000 1.0 Be Be7 1 0.50000000 0.00000000 0.50000000 1.0 Be Be8 1 0.74025308 0.00974892 0.00976375 1.0 Be Be9 1 0.99024378 0.99024378 0.25975622 1.0 Be Be10 1 0.25975640 0.25975640 0.99024360 1.0 Be Be11 1 0.99025108 0.25974692 0.25976575 1.0 Be Be12 1 0.99025108 0.25974692 0.99023625 1.0 Be Be13 1 0.25974692 0.99025108 0.25976575 1.0 Be Be14 1 0.00974892 0.74025308 0.00976375 1.0 Be Be15 1 0.00975622 0.00975622 0.74024378 1.0 Be Be16 1 0.74024360 0.74024360 0.00975640 1.0 Be Be17 1 0.74025308 0.00974892 0.74023425 1.0 Be Be18 1 0.25974692 0.99025108 0.99023625 1.0 Be Be19 1 0.00974892 0.74025308 0.74023425 1.0 Be Be20 1 0.17612523 0.17612523 0.70439101 1.0 Be Be21 1 0.82386664 0.29561376 0.55664398 1.0 Be Be22 1 0.55664636 0.82387308 0.82388091 1.0 Be Be23 1 0.82387308 0.55664736 0.82388091 1.0 Be Be24 1 0.29561376 0.82386664 0.55664398 1.0 Be Be25 1 0.29560398 0.55665031 0.82387285 1.0 Be Be26 1 0.55665031 0.29560298 0.82387285 1.0 Be Be27 1 0.70438624 0.17613336 0.17612538 1.0 Be Be28 1 0.17613336 0.70438624 0.17612538 1.0 Be Be29 1 0.44335364 0.17612692 0.70440135 1.0 Be Be30 1 0.17612692 0.44335264 0.70440135 1.0 Be Be31 1 0.44335364 0.17612692 0.17611909 1.0 Be Be32 1 0.70438624 0.17613336 0.44335602 1.0 Be Be33 1 0.17613336 0.70438624 0.44335602 1.0 Be Be34 1 0.17612692 0.44335264 0.17611909 1.0 Be Be35 1 0.55664636 0.82387308 0.29559865 1.0 Be Be36 1 0.82387308 0.55664736 0.29559865 1.0 Be Be37 1 0.82387477 0.82387477 0.55664048 1.0 Be Be38 1 0.82387477 0.82387477 0.29560899 1.0 Be Be39 1 0.29561376 0.82386664 0.82387462 1.0 Be Be40 1 0.82386664 0.29561376 0.82387462 1.0 Be Be41 1 0.70439602 0.44334969 0.17612715 1.0 Be Be42 1 0.44334969 0.70439702 0.17612715 1.0 Be Be43 1 0.17612523 0.17612523 0.44335952 1.0 Mo Mo44 1 0.37500008 0.37500008 0.37499992 1.0 Mo Mo45 1 0.62499992 0.62499992 0.62500008 1.0