data_[Y2Zr2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0001]
_cell_length_b [3.4824]
_cell_length_c [18.7886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YZrCl4]
_chemical_formula_sum '[Y2 Zr2 Cl8]'
_cell_volume [850.5923]
_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
[
  Y  Y0  2  0.1446  0.7500  0.4947  1
  Zr  Zr1  2  0.4053  0.2500  0.4948  1
  Cl  Cl2  2  0.0366  0.2500  0.5818  1
  Cl  Cl3  2  0.2352  0.2500  0.4036  1
  Cl  Cl4  2  0.3046  0.7500  0.5829  1
  Cl  Cl5  2  0.4659  0.7500  0.3992  1
]