# generated using pymatgen
data_FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90917576
_cell_length_b   4.04919325
_cell_length_c   5.46924527
_cell_angle_alpha   90.00630192
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB
_chemical_formula_sum   'Fe4 B4'
_cell_volume   64.42669618
_cell_formula_units_Z   4
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  0.25000000  0.38200586  0.67919903  1.0
  Fe  Fe1  1  0.75000000  0.61799414  0.32080097  1.0
  Fe  Fe2  1  0.75000000  0.88193432  0.82064184  1.0
  Fe  Fe3  1  0.25000000  0.11806568  0.17935816  1.0
  B  B4  1  0.25000000  0.88646459  0.53511685  1.0
  B  B5  1  0.75000000  0.11353641  0.46488315  1.0
  B  B6  1  0.75000000  0.38646351  0.96488194  1.0
  B  B7  1  0.25000000  0.61353549  0.03511806  1.0