data_[In4Cu4Te6Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.8344]
_cell_length_b [6.1729]
_cell_length_c [6.1814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [In2Cu2Te3Se]
_chemical_formula_sum '[In4 Cu4 Te6 Se2]'
_cell_volume [472.5967]
_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  0.1210  0.1376  0.3609  1
  Cu  Cu1  4  0.1199  0.6144  0.8820  1
  Te  Te2  4  0.2498  0.8744  0.2143  1
  Te  Te3  2  0.0000  0.8415  0.5000  1
  Se  Se4  2  0.0000  0.4056  0.0000  1
]