data_[Zr2Ag4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [7.0377]
_cell_length_b [6.6462]
_cell_length_c [12.4918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr(AgCl3)2]
_chemical_formula_sum '[Zr2 Ag4 Cl12]'
_cell_volume [503.7745]
_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
[
  Zr  Zr0  2  0.5000  0.0000  0.5000  1.0
  Ag  Ag1  4  0.1907  0.0006  0.7162  1.0
  Cl  Cl2  4  0.1865  0.6308  0.7947  1.0
  Cl  Cl3  4  0.2255  0.1754  0.5372  1.0
  Cl  Cl4  4  0.4706  0.6965  0.6052  1.0
]