# generated using pymatgen
data_Fe6BC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66029552
_cell_length_b   4.44879067
_cell_length_c   5.21218303
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6BC
_chemical_formula_sum   'Fe12 B2 C2'
_cell_volume   154.43834131
_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
  Fe  Fe0  1  0.61831100  0.52287100  0.00000000  1
  Fe  Fe1  1  0.38168900  0.02287100  0.00000000  1
  Fe  Fe2  1  0.90748300  0.46454700  0.50000000  1
  Fe  Fe3  1  0.09251700  0.96454700  0.50000000  1
  Fe  Fe4  1  0.09538500  0.67906100  0.80653200  1
  Fe  Fe5  1  0.90461500  0.17906100  0.19346800  1
  Fe  Fe6  1  0.41214200  0.32519000  0.31484600  1
  Fe  Fe7  1  0.58785800  0.82519000  0.68515400  1
  Fe  Fe8  1  0.41214200  0.32519000  0.68515400  1
  Fe  Fe9  1  0.58785800  0.82519000  0.31484600  1
  Fe  Fe10  1  0.09538500  0.67906100  0.19346800  1
  Fe  Fe11  1  0.90461500  0.17906100  0.80653200  1
  B  B12  1  0.81955900  0.88146200  0.00000000  1
  B  B13  1  0.18044100  0.38146200  0.00000000  1
  C  C14  1  0.68532000  0.12261800  0.50000000  1
  C  C15  1  0.31468000  0.62261800  0.50000000  1
