data_[In4Cu4Sb8Se20]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9506]
_cell_length_b [18.7776]
_cell_length_c [12.8836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InCuSb2Se5]
_chemical_formula_sum '[In4 Cu4 Sb8 Se20]'
_cell_volume [955.7515]
_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  0.0000  0.2238  0.0233  1.0
  Cu  Cu1  4  0.0000  0.4338  0.4572  1.0
  Sb  Sb2  4  0.0000  0.0925  0.6559  1.0
  Sb  Sb3  4  0.0000  0.0990  0.2452  1.0
  Se  Se4  4  0.0000  0.0355  0.0569  1.0
  Se  Se5  4  0.0000  0.2948  0.6859  1.0
  Se  Se6  4  0.0000  0.3126  0.3940  1.0
  Se  Se7  4  0.0000  0.3684  0.0162  1.0
  Se  Se8  4  0.0000  0.4932  0.2895  1.0
]