# generated using pymatgen
data_ZrScBe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68426803
_cell_length_b   5.68426821
_cell_length_c   5.68426855
_cell_angle_alpha   82.88373006
_cell_angle_beta   82.88372714
_cell_angle_gamma   82.88371970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScBe17
_chemical_formula_sum   'Zr1 Sc1 Be17'
_cell_volume   179.74314214
_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
  Zr  Zr0  1  0.83687348  0.83687348  0.83687348  1.0
  Sc  Sc1  1  0.16232627  0.16232627  0.16232627  1.0
  Be  Be2  1  0.50289307  0.50289307  0.99814245  1.0
  Be  Be3  1  0.99814045  0.50289207  0.50289407  1.0
  Be  Be4  1  0.50289207  0.99814045  0.50289407  1.0
  Be  Be5  1  0.78709099  0.21312475  0.49895942  1.0
  Be  Be6  1  0.49896042  0.78708999  0.21312475  1.0
  Be  Be7  1  0.21312575  0.49895842  0.78709099  1.0
  Be  Be8  1  0.21312475  0.78709099  0.49895942  1.0
  Be  Be9  1  0.49895842  0.21312575  0.78709099  1.0
  Be  Be10  1  0.78708999  0.49896042  0.21312475  1.0
  Be  Be11  1  0.40308400  0.40308400  0.40308400  1.0
  Be  Be12  1  0.59687650  0.59687650  0.59687650  1.0
  Be  Be13  1  0.15767463  0.65804678  0.15767363  1.0
  Be  Be14  1  0.15767363  0.15767363  0.65804778  1.0
  Be  Be15  1  0.65804678  0.15767463  0.15767363  1.0
  Be  Be16  1  0.33987490  0.84264545  0.84264645  1.0
  Be  Be17  1  0.84264645  0.84264645  0.33987390  1.0
  Be  Be18  1  0.84264545  0.33987490  0.84264645  1.0