data_[In4Ag4Sn4Se16]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.1093]
_cell_length_b [8.1198]
_cell_length_c [11.4683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [InAgSnSe4]
_chemical_formula_sum '[In4 Ag4 Sn4 Se16]'
_cell_volume [755.1457]
_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  0.2500  0.2500  0.7500  1
  Ag  Ag1  4  0.0000  0.2500  0.1327  1
  Sn  Sn2  4  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.0000  0.0173  0.7383  1
  Se  Se4  8  0.2344  0.2500  0.5045  1
]