data_[In4H4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1331]
_cell_length_b [12.0329]
_cell_length_c [6.6340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [InHSe2]
_chemical_formula_sum '[In4 H4 Se8]'
_cell_volume [498.5511]
_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  0.2390  0.7500  1
  H  H1  4  0.0000  0.1512  0.2500  1
  Se  Se2  8  0.1730  0.1229  0.1330  1
]