data_[Zr1Ag1Cl6]
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 [P-1]
_cell_length_a [6.2032]
_cell_length_b [6.7592]
_cell_length_c [6.7900]
_cell_angle_alpha [116.3286]
_cell_angle_beta [90.0941]
_cell_angle_gamma [116.5123]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrAgCl6]
_chemical_formula_sum '[Zr1 Ag1 Cl6]'
_cell_volume [221.1432]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl2  2  0.0472  0.4210  0.2139  1.0
  Cl  Cl3  2  0.2576  0.1615  0.7611  1.0
  Cl  Cl4  2  0.4001  0.1628  0.2659  1.0
]