data_[In4Sn8Sb4Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3632]
_cell_length_b [19.6770]
_cell_length_c [14.4482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InSn2SbTe5]
_chemical_formula_sum '[In4 Sn8 Sb4 Te20]'
_cell_volume [1240.4606]
_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  0.4485  0.4293  1.0
  Sn  Sn1  4  0.0000  0.1257  0.3129  1.0
  Sn  Sn2  4  0.0000  0.1375  0.6611  1.0
  Sb  Sb3  4  0.0000  0.2001  0.0265  1.0
  Te  Te4  4  0.0000  0.0357  0.0519  1.0
  Te  Te5  4  0.0000  0.2926  0.6821  1.0
  Te  Te6  4  0.0000  0.3068  0.3789  1.0
  Te  Te7  4  0.0000  0.3523  0.0166  1.0
  Te  Te8  4  0.0000  0.4782  0.7646  1.0
]