data_[In8Sb4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5365]
_cell_length_b [11.6002]
_cell_length_c [7.0783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2SbSe6]
_chemical_formula_sum '[In8 Sb4 Se24]'
_cell_volume [984.1146]
_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  8  0.2070  0.4132  0.4520  1
  Sb  Sb1  4  0.0000  0.0749  0.2500  1
  Se  Se2  8  0.0668  0.4289  0.0145  1
  Se  Se3  8  0.1318  0.2211  0.5705  1
  Se  Se4  8  0.1507  0.0928  0.0801  1
]