# generated using pymatgen
data_Be4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35699684
_cell_length_b   3.35699684
_cell_length_c   7.00653647
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4B
_chemical_formula_sum   'Be8 B2'
_cell_volume   78.95965676
_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  0.75000000  0.25000000  -0.00000000  1.0
  Be  Be1  1  0.25000000  0.75000000  0.00000000  1.0
  Be  Be2  1  0.25000000  0.25000000  0.48021616  1.0
  Be  Be3  1  0.75000000  0.75000000  0.51978384  1.0
  Be  Be4  1  0.25000000  0.75000000  0.30496143  1.0
  Be  Be5  1  0.75000000  0.25000000  0.30496143  1.0
  Be  Be6  1  0.75000000  0.25000000  0.69503857  1.0
  Be  Be7  1  0.25000000  0.75000000  0.69503857  1.0
  B  B8  1  0.75000000  0.75000000  0.83049113  1.0
  B  B9  1  0.25000000  0.25000000  0.16950887  1.0