data_[Fe6B4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.0317]
_cell_length_b [16.5884]
_cell_length_c [3.0944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Fe3(BMo)2]
_chemical_formula_sum '[Fe6 B4 Mo4]'
_cell_volume [155.6196]
_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  4  0.0000  0.4210  0.5000  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.0000  0.2800  0.5000  1.0
  Mo  Mo3  4  0.0000  0.1749  0.0000  1.0
]