data_[Cs4La2Ag2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7900]
_cell_length_b [7.7815]
_cell_length_c [13.6073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2LaAgCl6]
_chemical_formula_sum '[Cs4 La2 Ag2 Cl12]'
_cell_volume [677.6939]
_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
[
  Cs  Cs0  4  0.2560  0.0227  0.2509  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2048  0.0032  0.7468  1.0
  Cl  Cl4  4  0.2444  0.7223  0.5211  1.0
  Cl  Cl5  4  0.2995  0.2237  0.5225  1.0
]