data_[In4B8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2915]
_cell_length_b [10.0839]
_cell_length_c [6.5045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In(BSe3)2]
_chemical_formula_sum '[In4 B8 Se24]'
_cell_volume [912.5675]
_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  0.1050  0.7500  1
  B  B1  8  0.2382  0.0814  0.1527  1
  Se  Se2  8  0.0974  0.1182  0.1474  1
  Se  Se3  8  0.1792  0.2683  0.6869  1
  Se  Se4  8  0.2094  0.4317  0.1330  1
]