data_[Y3H9]
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
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [6.0917]
_cell_length_b [6.0917]
_cell_length_c [17.9430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [YH3]
_chemical_formula_sum '[Y3 H9]'
_cell_volume [576.6416]
_cell_formula_units_Z [3]
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  0.3333  0.6667  0.4297  1
  Y  Y1  1  0.0000  0.0000  0.3787  1
  H  H2  6  0.0826  0.5413  0.5312  1
  H  H3  2  0.3333  0.6667  0.5427  1
  H  H4  1  0.0000  0.0000  0.4893  1
]