data_[In1Ag3I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7303]
_cell_length_b [8.9934]
_cell_length_c [20.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InAg3I4]
_chemical_formula_sum '[In1 Ag3 I4]'
_cell_volume [865.6437]
_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  0.4723  0.0000  0.6374  1
  Ag  Ag1  2  0.4747  0.1806  0.5024  1
  Ag  Ag2  1  0.9722  0.5000  0.3745  1
  I  I3  2  0.9757  0.2451  0.5789  1
  I  I4  1  0.4723  0.5000  0.4324  1
  I  I5  1  0.4836  0.0000  0.3931  1
]