data_[In4S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2193]
_cell_length_b [3.5786]
_cell_length_c [20.1053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In4S]
_chemical_formula_sum '[In4 S1]'
_cell_volume [375.5199]
_cell_formula_units_Z [1]
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  1  0.0092  0.0000  0.4058  1
  In  In1  1  0.2209  0.0000  0.5452  1
  In  In2  1  0.5190  0.5000  0.3859  1
  In  In3  1  0.8491  0.5000  0.6398  1
  S  S4  1  0.5747  0.5000  0.5234  1
]