# generated using pymatgen
data_CrFeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93763455
_cell_length_b   4.11291375
_cell_length_c   5.49127971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeB2
_chemical_formula_sum   'Cr2 Fe2 B4'
_cell_volume   66.34694582
_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
  Cr  Cr0  1  0.00000000  0.12606100  0.67968500  1
  Cr  Cr1  1  0.00000000  0.87393900  0.17968500  1
  Fe  Fe2  1  0.50000000  0.36423700  0.32113800  1
  Fe  Fe3  1  0.50000000  0.63576300  0.82113800  1
  B  B4  1  0.00000000  0.62838200  0.53436900  1
  B  B5  1  0.00000000  0.37161800  0.03436900  1
  B  B6  1  0.50000000  0.85621000  0.46480900  1
  B  B7  1  0.50000000  0.14379000  0.96480900  1
