# generated using pymatgen
data_Be(FeB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22724949
_cell_length_b   5.22724949
_cell_length_c   2.80422753
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be(FeB)2
_chemical_formula_sum   'Be2 Fe4 B4'
_cell_volume   76.62309779
_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  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe2  1  0.67428292  0.17428292  0.50000000  1.0
  Fe  Fe3  1  0.17428292  0.32571708  0.50000000  1.0
  Fe  Fe4  1  0.82571608  0.67428292  0.50000000  1.0
  Fe  Fe5  1  0.32571708  0.82571608  0.50000000  1.0
  B  B6  1  0.38026162  0.11973838  0.00000000  1.0
  B  B7  1  0.88026062  0.38026162  0.00000000  1.0
  B  B8  1  0.11973838  0.61973738  0.00000000  1.0
  B  B9  1  0.61973738  0.88026062  0.00000000  1.0