data_[In4Sn8Sb4Se20]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0978]
_cell_length_b [18.5706]
_cell_length_c [13.7470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InSn2SbSe5]
_chemical_formula_sum '[In4 Sn8 Sb4 Se20]'
_cell_volume [1046.1404]
_cell_formula_units_Z [4]
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  0.0000  0.4559  0.4302  1.0
  Sn  Sn1  4  0.0000  0.1312  0.3136  1.0
  Sn  Sn2  4  0.0000  0.1400  0.6593  1.0
  Sb  Sb3  4  0.0000  0.1977  0.0253  1.0
  Se  Se4  4  0.0000  0.0321  0.0488  1.0
  Se  Se5  4  0.0000  0.2932  0.6786  1.0
  Se  Se6  4  0.0000  0.3151  0.3810  1.0
  Se  Se7  4  0.0000  0.3476  0.0175  1.0
  Se  Se8  4  0.0000  0.4723  0.7697  1.0
]