data_[In4Cu4Bi8Se20]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0055]
_cell_length_b [18.7900]
_cell_length_c [12.9749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InCuBi2Se5]
_chemical_formula_sum '[In4 Cu4 Bi8 Se20]'
_cell_volume [976.5341]
_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  0.2240  0.0187  1
  Cu  Cu1  4  0.0000  0.4333  0.4614  1
  Bi  Bi2  4  0.0000  0.0960  0.6594  1
  Bi  Bi3  4  0.0000  0.1030  0.2484  1
  Se  Se4  4  0.0000  0.0369  0.0570  1
  Se  Se5  4  0.0000  0.2866  0.6795  1
  Se  Se6  4  0.0000  0.3134  0.3918  1
  Se  Se7  4  0.0000  0.3673  0.0125  1
  Se  Se8  4  0.0000  0.4938  0.2954  1
]