data_[Te4S4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6893]
_cell_length_b [7.6096]
_cell_length_c [9.6205]
_cell_angle_alpha [85.7747]
_cell_angle_beta [75.9493]
_cell_angle_gamma [89.6954]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te2S2Cl]
_chemical_formula_sum '[Te4 S4 Cl2]'
_cell_volume [332.0925]
_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  0.1557  0.6021  0.6761  1.0
  Te  Te1  2  0.3583  0.9790  0.3364  1.0
  S  S2  2  0.1165  0.2527  0.4874  1.0
  S  S3  2  0.1991  0.8455  0.8110  1.0
  Cl  Cl4  2  0.4521  0.2660  0.8230  1.0
]