data_[Y8Cl8]
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 [Pnma]
_cell_length_a [7.3225]
_cell_length_b [5.7601]
_cell_length_c [10.5272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YCl]
_chemical_formula_sum '[Y8 Cl8]'
_cell_volume [444.0201]
_cell_formula_units_Z [8]
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  4  0.0485  0.7500  0.4441  1
  Y  Y1  4  0.2014  0.7500  0.7868  1
  Cl  Cl2  4  0.1031  0.2500  0.0709  1
  Cl  Cl3  4  0.2071  0.2500  0.7463  1
]