data_[Zr1Ag3Cl8]
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 [Pm]
_cell_length_a [6.5334]
_cell_length_b [7.7131]
_cell_length_c [19.8335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrAg3Cl8]
_chemical_formula_sum '[Zr1 Ag3 Cl8]'
_cell_volume [999.4744]
_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  0.0214  0.0000  0.5316  1
  Ag  Ag1  2  0.4640  0.3089  0.4852  1
  Ag  Ag2  1  0.9186  0.5000  0.4367  1
  Cl  Cl3  2  0.1159  0.2112  0.4299  1
  Cl  Cl4  2  0.2317  0.2213  0.5881  1
  Cl  Cl5  1  0.5622  0.5000  0.3816  1
  Cl  Cl6  1  0.6862  0.0000  0.4640  1
  Cl  Cl7  1  0.7098  0.5000  0.5543  1
  Cl  Cl8  1  0.8000  0.0000  0.6254  1
]