# generated using pymatgen
data_Fe23(BC)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44630203
_cell_length_b   7.44630203
_cell_length_c   7.44630278
_cell_angle_alpha   60.01359758
_cell_angle_beta   60.01359758
_cell_angle_gamma   60.01359404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe23(BC)3
_chemical_formula_sum   'Fe23 B3 C3'
_cell_volume   292.03898783
_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  0.00039500  0.34480700  0.00039500  1.0
  Fe  Fe1  1  0.34480700  0.00039500  0.00039500  1.0
  Fe  Fe2  1  0.00039500  0.00039500  0.34480700  1.0
  Fe  Fe3  1  0.34103900  0.99629900  0.65950300  1.0
  Fe  Fe4  1  0.99629900  0.34103900  0.65950300  1.0
  Fe  Fe5  1  0.00020800  0.00020800  0.66330800  1.0
  Fe  Fe6  1  0.65950300  0.99629900  0.34103900  1.0
  Fe  Fe7  1  0.66330800  0.00020800  0.00020800  1.0
  Fe  Fe8  1  0.65950300  0.34103900  0.99629900  1.0
  Fe  Fe9  1  0.00020800  0.66330800  0.00020800  1.0
  Fe  Fe10  1  0.99629900  0.65950300  0.34103900  1.0
  Fe  Fe11  1  0.34103900  0.65950300  0.99629900  1.0
  Fe  Fe12  1  0.38044600  0.38044600  0.38044600  1.0
  Fe  Fe13  1  0.38460500  0.38460500  0.85063200  1.0
  Fe  Fe14  1  0.85063200  0.38460500  0.38460500  1.0
  Fe  Fe15  1  0.38460500  0.85063200  0.38460500  1.0
  Fe  Fe16  1  0.61585600  0.61585600  0.61585600  1.0
  Fe  Fe17  1  0.61987400  0.61987400  0.14557100  1.0
  Fe  Fe18  1  0.14557100  0.61987400  0.61987400  1.0
  Fe  Fe19  1  0.61987400  0.14557100  0.61987400  1.0
  Fe  Fe20  1  0.00409000  0.00409000  0.00409000  1.0
  Fe  Fe21  1  0.24892900  0.24892900  0.24892900  1.0
  Fe  Fe22  1  0.74916900  0.74916900  0.74916900  1.0
  B  B23  1  0.27512700  0.72350300  0.27512700  1.0
  B  B24  1  0.72350300  0.27512700  0.27512700  1.0
  B  B25  1  0.27512700  0.27512700  0.72350300  1.0
  C  C26  1  0.72122300  0.27714100  0.72122300  1.0
  C  C27  1  0.27714100  0.72122300  0.72122300  1.0
  C  C28  1  0.72122300  0.72122300  0.27714100  1.0