data_[In4As8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7857]
_cell_length_b [13.3931]
_cell_length_c [8.6234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In(AsSe3)2]
_chemical_formula_sum '[In4 As8 Se24]'
_cell_volume [1321.2057]
_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  0.1562  0.2500  1.0
  As  As1  8  0.1993  0.3862  0.4572  1.0
  Se  Se2  8  0.0518  0.4667  0.9307  1.0
  Se  Se3  8  0.1092  0.2535  0.5468  1.0
  Se  Se4  8  0.1748  0.0484  0.2609  1.0
]