data_[Fe6Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4200]
_cell_length_b [4.2201]
_cell_length_c [5.3440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe3Sn4]
_chemical_formula_sum '[Fe6 Sn8]'
_cell_volume [265.2045]
_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  0.2109  0.0000  0.3556  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.0667  0.5000  0.3078  1.0
  Sn  Sn3  4  0.1705  0.0000  0.8173  1.0
]