data_[Te4H4S6]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3484]
_cell_length_b [3.9656]
_cell_length_c [5.7532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2H2S3]
_chemical_formula_sum '[Te4 H4 S6]'
_cell_volume [338.3739]
_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  4  0.0902  0.5000  0.8176  1.0
  H  H1  4  0.1023  0.0000  0.4085  1.0
  S  S2  4  0.1652  0.0000  0.6283  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
]