data_[Y4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3875]
_cell_length_b [3.6884]
_cell_length_c [7.3836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YCl2]
_chemical_formula_sum '[Y4 Cl8]'
_cell_volume [310.2962]
_cell_formula_units_Z [4]
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  0.0759  0.0000  0.5051  1.0
  Y  Y1  2  0.2195  0.5000  0.0079  1.0
  Cl  Cl2  2  0.0460  0.0000  0.8412  1.0
  Cl  Cl3  2  0.1442  0.5000  0.3119  1.0
  Cl  Cl4  2  0.2984  0.0000  0.8352  1.0
  Cl  Cl5  2  0.3826  0.0000  0.3319  1.0
]