# generated using pymatgen
data_FeCoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19562792
_cell_length_b   7.05492069
_cell_length_c   7.19617209
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoB
_chemical_formula_sum   'Fe8 Co8 B8'
_cell_volume   213.00541453
_cell_formula_units_Z   8
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  0.33537300  0.50000000  1
  Fe  Fe1  1  0.50000000  0.16462700  0.50000000  1
  Fe  Fe2  1  0.00000000  0.83537300  0.00000000  1
  Fe  Fe3  1  0.50000000  0.66462700  0.00000000  1
  Fe  Fe4  1  0.50000000  0.33537300  0.00000000  1
  Fe  Fe5  1  0.00000000  0.16462700  0.00000000  1
  Fe  Fe6  1  0.50000000  0.83537300  0.50000000  1
  Fe  Fe7  1  0.00000000  0.66462700  0.50000000  1
  Co  Co8  1  0.00000000  0.00000000  0.66534900  1
  Co  Co9  1  0.50000000  0.50000000  0.33465100  1
  Co  Co10  1  0.00000000  0.50000000  0.16534900  1
  Co  Co11  1  0.50000000  0.00000000  0.83465100  1
  Co  Co12  1  0.50000000  0.00000000  0.16534900  1
  Co  Co13  1  0.00000000  0.50000000  0.83465100  1
  Co  Co14  1  0.50000000  0.50000000  0.66534900  1
  Co  Co15  1  0.00000000  0.00000000  0.33465100  1
  B  B16  1  0.25000000  0.25000000  0.25000000  1
  B  B17  1  0.75000000  0.25000000  0.25000000  1
  B  B18  1  0.25000000  0.75000000  0.75000000  1
  B  B19  1  0.75000000  0.75000000  0.75000000  1
  B  B20  1  0.75000000  0.25000000  0.75000000  1
  B  B21  1  0.25000000  0.25000000  0.75000000  1
  B  B22  1  0.75000000  0.75000000  0.25000000  1
  B  B23  1  0.25000000  0.75000000  0.25000000  1
