# generated using pymatgen
data_FeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76362700
_cell_length_b   3.01919786
_cell_length_c   3.01919786
_cell_angle_alpha   119.99999683
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB2
_chemical_formula_sum   'Fe1 B2'
_cell_volume   21.81690905
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1.0
  B  B1  1  0.50000000  0.33333300  0.66666700  1.0
  B  B2  1  0.50000000  0.66666700  0.33333300  1.0