data_[Ba2Li1Ag1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  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 [7.0266]
_cell_length_b [7.1788]
_cell_length_c [7.3343]
_cell_angle_alpha [93.2274]
_cell_angle_beta [117.5851]
_cell_angle_gamma [116.8782]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2LiAgCl6]
_chemical_formula_sum '[Ba2 Li1 Ag1 Cl6]'
_cell_volume [275.4768]
_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  0.4882  0.7683  0.2215  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  2  0.1120  0.8194  0.8072  1.0
  Cl  Cl4  2  0.1278  0.3174  0.8354  1.0
  Cl  Cl5  2  0.4766  0.2125  0.3453  1.0
]