data_[Y12H4]
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 [Pmma]
_cell_length_a [17.3778]
_cell_length_b [3.6746]
_cell_length_c [6.3659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Y3H]
_chemical_formula_sum '[Y12 H4]'
_cell_volume [406.5056]
_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  0.0829  0.5000  0.1706  1.0
  Y  Y1  4  0.0890  0.0000  0.6660  1.0
  Y  Y2  2  0.2500  0.0000  0.3288  1.0
  Y  Y3  2  0.2500  0.5000  0.8335  1.0
  H  H4  4  0.1200  0.0000  0.3322  1.0
]