data_[Y2H2I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.3886]
_cell_length_b [3.9367]
_cell_length_c [9.2769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YHI2]
_chemical_formula_sum '[Y2 H2 I4]'
_cell_volume [269.6350]
_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
[
  Y  Y0  1  0.1288  0.0000  0.0489  1.0
  Y  Y1  1  0.8120  0.5000  0.8179  1.0
  H  H2  1  0.0974  0.5000  0.9166  1.0
  H  H3  1  0.9050  0.0000  0.8979  1.0
  I  I4  1  0.3315  0.5000  0.2470  1.0
  I  I5  1  0.4728  0.0000  0.8348  1.0
  I  I6  1  0.8250  0.5000  0.1509  1.0
  I  I7  1  0.8982  0.0000  0.5759  1.0
]