data_[In4Sn4Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6440]
_cell_length_b [4.2279]
_cell_length_c [6.8190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2Sn2Se5]
_chemical_formula_sum '[In4 Sn4 Se10]'
_cell_volume [564.0312]
_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  0.1292  0.0000  0.8901  1.0
  Sn  Sn1  4  0.0617  0.5000  0.3333  1.0
  Se  Se2  4  0.1428  0.0000  0.5209  1.0
  Se  Se3  4  0.1738  0.5000  0.0995  1.0
  Se  Se4  2  0.0000  0.0000  0.0000  1.0
]