data_[In4Ag4Se4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [6.0124]
_cell_length_b [6.1035]
_cell_length_c [11.7847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [24]
_chemical_formula_structural [InAgSeS]
_chemical_formula_sum '[In4 Ag4 Se4 S4]'
_cell_volume [432.4653]
_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  0.2500  0.1232  1
  Ag  Ag1  4  0.0000  0.2500  0.6120  1
  Se  Se2  4  0.2462  0.5000  0.7500  1
  S  S3  4  0.2500  0.0161  0.0000  1
]