data_[Ba1Ag2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8248]
_cell_length_b [9.1695]
_cell_length_c [19.1963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [101.8972]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba(AgI2)2]
_chemical_formula_sum '[Ba1 Ag2 I4]'
_cell_volume [831.0189]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1
  Ag  Ag1  2  0.3617  0.6340  0.4951  1
  I  I2  2  0.1395  0.3529  0.4193  1
  I  I3  2  0.4453  0.8582  0.3908  1
]