data_[Y2H2F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6499]
_cell_length_b [3.7057]
_cell_length_c [5.7103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [YHF]
_chemical_formula_sum '[Y2 H2 F2]'
_cell_volume [77.2335]
_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  0.0000  0.0000  0.1534  1
  Y  Y1  1  0.5000  0.5000  0.5982  1
  H  H2  1  0.5000  0.0000  0.3961  1
  H  H3  1  0.5000  0.5000  0.2181  1
  F  F4  1  0.0000  0.5000  0.8799  1
  F  F5  1  0.5000  0.0000  0.8762  1
]