# generated using pymatgen
data_Be12Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12413039
_cell_length_b   5.47316319
_cell_length_c   5.47316319
_cell_angle_alpha   81.83944837
_cell_angle_beta   67.86692086
_cell_angle_gamma   67.86692086
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be12Fe
_chemical_formula_sum   'Be12 Fe1'
_cell_volume   106.00420086
_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
  Be  Be0  1  0.00000000  -0.00000000  0.50000000  1.0
  Be  Be1  1  0.50000000  -0.00000000  0.50000000  1.0
  Be  Be2  1  0.50000000  0.50000000  -0.00000000  1.0
  Be  Be3  1  0.00000000  0.50000000  -0.00000000  1.0
  Be  Be4  1  0.00000000  0.34667066  0.65332934  1.0
  Be  Be5  1  0.00000000  0.65332934  0.34667066  1.0
  Be  Be6  1  0.65332934  0.34667066  0.34667066  1.0
  Be  Be7  1  0.34667066  0.65332934  0.65332934  1.0
  Be  Be8  1  0.50000000  0.78646760  0.21353240  1.0
  Be  Be9  1  0.50000000  0.21353240  0.78646760  1.0
  Be  Be10  1  0.71353240  0.78646760  0.78646760  1.0
  Be  Be11  1  0.28646760  0.21353240  0.21353240  1.0
  Fe  Fe12  1  0.00000000  -0.00000000  -0.00000000  1.0