data_[In4Fe4Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0026]
_cell_length_b [4.0026]
_cell_length_c [33.5492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [In2Fe2Se5]
_chemical_formula_sum '[In4 Fe4 Se10]'
_cell_volume [465.4860]
_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  2  0.0000  0.0000  0.0870  1
  In  In1  2  0.0000  0.0000  0.4114  1
  Fe  Fe2  2  0.3333  0.6667  0.1905  1
  Fe  Fe3  2  0.3333  0.6667  0.7040  1
  Se  Se4  2  0.0000  0.0000  0.1652  1
  Se  Se5  2  0.0000  0.0000  0.3345  1
  Se  Se6  2  0.3333  0.6667  0.0480  1
  Se  Se7  2  0.3333  0.6667  0.2605  1
  Se  Se8  2  0.3333  0.6667  0.4503  1
]