data_[Pr2Y2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.2712]
_cell_length_b [3.8416]
_cell_length_c [18.8507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrYCl4]
_chemical_formula_sum '[Pr2 Y2 Cl8]'
_cell_volume [961.0478]
_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
[
  Pr  Pr0  2  0.1161  0.7500  0.0028  1
  Y  Y1  2  0.3576  0.2500  0.0016  1
  Cl  Cl2  2  0.0398  0.2500  0.1021  1
  Cl  Cl3  2  0.2120  0.2500  0.9069  1
  Cl  Cl4  2  0.2991  0.7500  0.0938  1
  Cl  Cl5  2  0.4586  0.7500  0.9240  1
]