data_[In2Rh10Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [19.5631]
_cell_length_b [3.7149]
_cell_length_c [8.7506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InRh5Se8]
_chemical_formula_sum '[In2 Rh10 Se16]'
_cell_volume [609.9003]
_cell_formula_units_Z [2]
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  2  0.4590  0.0000  0.4973  1
  Rh  Rh1  2  0.0047  0.0000  0.0048  1
  Rh  Rh2  2  0.1596  0.5000  0.9620  1
  Rh  Rh3  2  0.2048  0.5000  0.3233  1
  Rh  Rh4  2  0.3011  0.0000  0.6794  1
  Rh  Rh5  2  0.3454  0.0000  0.0349  1
  Se  Se6  2  0.0821  0.5000  0.1366  1
  Se  Se7  2  0.0840  0.0000  0.8186  1
  Se  Se8  2  0.1805  0.0000  0.4890  1
  Se  Se9  2  0.2384  0.0000  0.1456  1
  Se  Se10  2  0.2661  0.5000  0.8483  1
  Se  Se11  2  0.3262  0.5000  0.5131  1
  Se  Se12  2  0.4204  0.5000  0.1809  1
  Se  Se13  2  0.4277  0.0000  0.8661  1
]