data_[Te8Se8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9716]
_cell_length_b [3.9195]
_cell_length_c [14.3693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2Se2Cl]
_chemical_formula_sum '[Te8 Se8 Cl4]'
_cell_volume [819.5439]
_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
[
  Te  Te0  4  0.0882  0.5000  0.3220  1
  Te  Te1  4  0.2132  0.5000  0.8312  1
  Se  Se2  4  0.1719  0.5000  0.1125  1
  Se  Se3  4  0.2023  0.0000  0.3828  1
  Cl  Cl4  4  0.0599  0.0000  0.7605  1
]