# generated using pymatgen
data_Fe(BMo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77591868
_cell_length_b   5.77591868
_cell_length_c   3.16644338
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(BMo)2
_chemical_formula_sum   'Fe2 B4 Mo4'
_cell_volume   105.63646677
_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  0.50000000  0.50000000  0.00000000  1
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1
  B  B2  1  0.11307800  0.61307800  0.00000000  1
  B  B3  1  0.88692200  0.38692200  0.00000000  1
  B  B4  1  0.61307800  0.88692200  0.00000000  1
  B  B5  1  0.38692200  0.11307800  0.00000000  1
  Mo  Mo6  1  0.67760500  0.17760500  0.50000000  1
  Mo  Mo7  1  0.32239500  0.82239500  0.50000000  1
  Mo  Mo8  1  0.17760500  0.32239500  0.50000000  1
  Mo  Mo9  1  0.82239500  0.67760500  0.50000000  1
