# generated using pymatgen
data_CrFe3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17663280
_cell_length_b   7.25821694
_cell_length_c   7.16371659
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe3B2
_chemical_formula_sum   'Cr4 Fe12 B8'
_cell_volume   217.16740178
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.84072800  1
  Cr  Cr1  1  0.50000000  0.50000000  0.84072800  1
  Cr  Cr2  1  0.50000000  0.00000000  0.34072800  1
  Cr  Cr3  1  0.00000000  0.50000000  0.34072800  1
  Fe  Fe4  1  0.00000000  0.16590400  0.49867700  1
  Fe  Fe5  1  0.00000000  0.83409600  0.49867700  1
  Fe  Fe6  1  0.50000000  0.66590400  0.49867700  1
  Fe  Fe7  1  0.50000000  0.33409600  0.49867700  1
  Fe  Fe8  1  0.50000000  0.16590400  0.99867700  1
  Fe  Fe9  1  0.50000000  0.83409600  0.99867700  1
  Fe  Fe10  1  0.00000000  0.66590400  0.99867700  1
  Fe  Fe11  1  0.00000000  0.33409600  0.99867700  1
  Fe  Fe12  1  0.00000000  0.00000000  0.16476800  1
  Fe  Fe13  1  0.50000000  0.50000000  0.16476800  1
  Fe  Fe14  1  0.50000000  0.00000000  0.66476800  1
  Fe  Fe15  1  0.00000000  0.50000000  0.66476800  1
  B  B16  1  0.25000000  0.25000000  0.24857500  1
  B  B17  1  0.75000000  0.75000000  0.24857500  1
  B  B18  1  0.75000000  0.25000000  0.24857500  1
  B  B19  1  0.25000000  0.75000000  0.24857500  1
  B  B20  1  0.75000000  0.25000000  0.74857500  1
  B  B21  1  0.25000000  0.75000000  0.74857500  1
  B  B22  1  0.25000000  0.25000000  0.74857500  1
  B  B23  1  0.75000000  0.75000000  0.74857500  1
