data_[Zr2Cl13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7339]
_cell_length_b [8.4423]
_cell_length_c [9.4877]
_cell_angle_alpha [107.4738]
_cell_angle_beta [103.6370]
_cell_angle_gamma [95.9064]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr2Cl13]
_chemical_formula_sum '[Zr2 Cl13]'
_cell_volume [564.0577]
_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  2  0.0973  0.1483  0.2950  1.0
  Cl  Cl1  2  0.0696  0.8472  0.3333  1.0
  Cl  Cl2  2  0.2001  0.2657  0.5815  1.0
  Cl  Cl3  2  0.2067  0.8281  0.7198  1.0
  Cl  Cl4  2  0.2521  0.3930  0.2789  1.0
  Cl  Cl5  2  0.3497  0.9764  0.2886  1.0
  Cl  Cl6  2  0.4407  0.6002  0.0050  1.0
  Cl  Cl7  1  0.0000  0.0000  0.0000  1.0
]