data_[In4Fe6Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1193]
_cell_length_b [5.1193]
_cell_length_c [7.6793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [In2Fe3Si]
_chemical_formula_sum '[In4 Fe6 Si2]'
_cell_volume [174.2883]
_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
[
  In  In0  4  0.3333  0.6667  0.9382  1
  Fe  Fe1  6  0.1654  0.3307  0.2500  1
  Si  Si2  2  0.0000  0.0000  0.0000  1
]