data_[Ba2In2Ag2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [7.9373]
_cell_length_b [8.3727]
_cell_length_c [9.5710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaInAgI4]
_chemical_formula_sum '[Ba2 In2 Ag2 I8]'
_cell_volume [606.8868]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.2265  0.2500  0.5579  1.0
  In  In1  2  0.2353  0.2500  0.0519  1.0
  Ag  Ag2  2  0.2419  0.7500  0.3105  1.0
  I  I3  4  0.0103  0.5081  0.7440  1.0
  I  I4  2  0.4437  0.7500  0.1118  1.0
  I  I5  2  0.4453  0.7500  0.6126  1.0
]