data_[Y8H4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7405]
_cell_length_b [3.7647]
_cell_length_c [6.5638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2HCl2]
_chemical_formula_sum '[Y8 H4 Cl8]'
_cell_volume [485.5040]
_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  0.1791  0.0000  0.8951  1.0
  Y  Y1  4  0.1798  0.5000  0.3927  1.0
  H  H2  4  0.2080  0.0000  0.5679  1.0
  Cl  Cl3  4  0.0915  0.5000  0.6977  1.0
  Cl  Cl4  4  0.0928  0.0000  0.2030  1.0
]