data_[Ag1Sb1I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [7.4853]
_cell_length_b [17.1642]
_cell_length_c [7.9363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [AgSbI4]
_chemical_formula_sum '[Ag1 Sb1 I4]'
_cell_volume [1012.2822]
_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
[
  Ag  Ag0  1  0.5000  0.5227  0.5000  1
  Sb  Sb1  1  0.5000  0.5283  0.0000  1
  I  I2  2  0.2254  0.5507  0.6846  1
  I  I3  2  0.2855  0.4281  0.1613  1
]