data_[Ba4Ag1Sb1I2]
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
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.5656]
_cell_length_b [4.9697]
_cell_length_c [8.9668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4AgSbI2]
_chemical_formula_sum '[Ba4 Ag1 Sb1 I2]'
_cell_volume [363.0410]
_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  2  0.2409  0.5000  0.2252  1.0
  Ba  Ba1  2  0.2604  0.0000  0.7785  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  1  0.5000  0.5000  0.0000  1.0
  I  I4  1  0.0000  0.5000  0.5000  1.0
  I  I5  1  0.5000  0.0000  0.5000  1.0
]