data_[In4Cu4Te2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.8649]
_cell_length_b [5.7613]
_cell_length_c [5.7123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [In2Cu2TeS3]
_chemical_formula_sum '[In4 Cu4 Te2 S6]'
_cell_volume [379.5900]
_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
[
  In  In0  4  0.1305  0.8544  0.8641  1
  Cu  Cu1  4  0.1369  0.3948  0.4118  1
  Te  Te2  2  0.0000  0.1632  0.0000  1
  S  S3  4  0.2496  0.1243  0.7225  1
  S  S4  2  0.0000  0.5896  0.5000  1
]