# generated using pymatgen
data_Sc2Be17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33355428
_cell_length_b   7.52839451
_cell_length_c   7.52839451
_cell_angle_alpha   119.99999833
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Be17
_chemical_formula_sum   'Sc4 Be34'
_cell_volume   359.95639065
_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
  Sc  Sc0  1  0.75000000  0.00000000  -0.00000000  1.0
  Sc  Sc1  1  0.25000000  0.00000000  -0.00000000  1.0
  Sc  Sc2  1  0.75000000  0.66666700  0.33333300  1.0
  Sc  Sc3  1  0.25000000  0.33333300  0.66666700  1.0
  Be  Be4  1  0.98807845  0.83422817  0.16577183  1.0
  Be  Be5  1  0.01192155  0.16577183  0.83422817  1.0
  Be  Be6  1  0.98807845  0.33154166  0.16577183  1.0
  Be  Be7  1  0.48807845  0.16577183  0.83422817  1.0
  Be  Be8  1  0.01192155  0.66845834  0.83422817  1.0
  Be  Be9  1  0.51192155  0.83422817  0.16577183  1.0
  Be  Be10  1  0.98807845  0.83422817  0.66845834  1.0
  Be  Be11  1  0.48807845  0.66845834  0.83422817  1.0
  Be  Be12  1  0.01192155  0.16577183  0.33154166  1.0
  Be  Be13  1  0.51192155  0.33154166  0.16577183  1.0
  Be  Be14  1  0.48807845  0.16577183  0.33154166  1.0
  Be  Be15  1  0.51192155  0.83422817  0.66845834  1.0
  Be  Be16  1  0.39434540  0.66666700  0.33333300  1.0
  Be  Be17  1  0.60565460  0.33333300  0.66666700  1.0
  Be  Be18  1  0.89434540  0.33333300  0.66666700  1.0
  Be  Be19  1  0.10565460  0.66666700  0.33333300  1.0
  Be  Be20  1  0.75000000  0.04641298  0.37789226  1.0
  Be  Be21  1  0.25000000  0.95358702  0.62210774  1.0
  Be  Be22  1  0.75000000  0.33147928  0.95358702  1.0
  Be  Be23  1  0.25000000  0.66852072  0.62210774  1.0
  Be  Be24  1  0.25000000  0.66852072  0.04641298  1.0
  Be  Be25  1  0.75000000  0.33147928  0.37789226  1.0
  Be  Be26  1  0.75000000  0.62210774  0.66852072  1.0
  Be  Be27  1  0.25000000  0.37789226  0.04641298  1.0
  Be  Be28  1  0.25000000  0.37789226  0.33147928  1.0
  Be  Be29  1  0.75000000  0.62210774  0.95358702  1.0
  Be  Be30  1  0.25000000  0.95358702  0.33147928  1.0
  Be  Be31  1  0.75000000  0.04641298  0.66852072  1.0
  Be  Be32  1  -0.00000000  0.50000000  0.50000000  1.0
  Be  Be33  1  -0.00000000  0.00000000  0.50000000  1.0
  Be  Be34  1  0.50000000  0.50000000  0.50000000  1.0
  Be  Be35  1  -0.00000000  0.50000000  -0.00000000  1.0
  Be  Be36  1  0.50000000  0.00000000  0.50000000  1.0
  Be  Be37  1  0.50000000  0.50000000  -0.00000000  1.0