data_[Fe24Si2B10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.5947]
_cell_length_b [6.8181]
_cell_length_c [7.5235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Fe12SiB5]
_chemical_formula_sum '[Fe24 Si2 B10]'
_cell_volume [338.2864]
_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  8  0.0000  0.1948  0.2346  1
  Fe  Fe1  8  0.1995  0.5000  0.1764  1
  Fe  Fe2  8  0.2192  0.3161  0.5000  1
  Si  Si3  2  0.0000  0.0000  0.5000  1
  B  B4  4  0.0000  0.3616  0.0000  1
  B  B5  4  0.0000  0.5000  0.3804  1
  B  B6  2  0.0000  0.0000  0.0000  1
]