data_[In4Cu8Te12]
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
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.5809]
_cell_length_b [13.0296]
_cell_length_c [7.4853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [InCu2Te3]
_chemical_formula_sum '[In4 Cu8 Te12]'
_cell_volume [698.1664]
_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
[
  In  In0  4  0.3607  0.0896  0.6046  1.0
  Cu  Cu1  4  0.3635  0.2536  0.1167  1.0
  Cu  Cu2  4  0.3748  0.4179  0.6182  1.0
  Te  Te3  4  0.0051  0.2338  0.9804  1.0
  Te  Te4  4  0.0111  0.4040  0.5089  1.0
  Te  Te5  4  0.4658  0.4173  0.9812  1.0
]