data_[Te2H2S4I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9174]
_cell_length_b [4.1277]
_cell_length_c [10.0251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TeHS2I]
_chemical_formula_sum '[Te2 H2 S4 I2]'
_cell_volume [309.0406]
_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
[
  Te  Te0  2  0.3019  0.2500  0.0580  1.0
  H  H1  2  0.0727  0.7500  0.3916  1.0
  S  S2  2  0.0458  0.2500  0.5360  1.0
  S  S3  2  0.2828  0.7500  0.9003  1.0
  I  I4  2  0.3503  0.7500  0.3039  1.0
]