data_[Y4Cl12]
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 [Cmm2]
_cell_length_a [8.6876]
_cell_length_b [9.7573]
_cell_length_c [18.3043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [YCl3]
_chemical_formula_sum '[Y4 Cl12]'
_cell_volume [1551.6165]
_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  4  0.2038  0.0000  0.5043  1
  Cl  Cl1  4  0.0000  0.1565  0.5786  1
  Cl  Cl2  4  0.2500  0.2500  0.4440  1
  Cl  Cl3  2  0.0000  0.0000  0.3981  1
  Cl  Cl4  2  0.0000  0.5000  0.5480  1
]