data_[Ba1Ti1Ag2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4272]
_cell_length_b [7.0760]
_cell_length_c [8.6670]
_cell_angle_alpha [69.8146]
_cell_angle_beta [89.5055]
_cell_angle_gamma [82.0897]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaTi(AgCl4)2]
_chemical_formula_sum '[Ba1 Ti1 Ag2 Cl8]'
_cell_volume [366.1126]
_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  1.0
  Ti  Ti1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.4827  0.3416  0.7089  1.0
  Cl  Cl3  2  0.0860  0.2404  0.7396  1.0
  Cl  Cl4  2  0.1429  0.1875  0.1395  1.0
  Cl  Cl5  2  0.3264  0.8005  0.0131  1.0
  Cl  Cl6  2  0.4357  0.7365  0.5602  1.0
]