data_[In4Sb4Se12]
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 [Pnma]
_cell_length_a [9.9937]
_cell_length_b [4.0870]
_cell_length_c [14.1039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [InSbSe3]
_chemical_formula_sum '[In4 Sb4 Se12]'
_cell_volume [576.0683]
_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  0.1476  0.2500  0.9534  1
  Sb  Sb1  4  0.0280  0.2500  0.3627  1
  Se  Se2  4  0.0028  0.2500  0.1179  1
  Se  Se3  4  0.1610  0.2500  0.5257  1
  Se  Se4  4  0.1879  0.7500  0.2967  1
]