data_[Y2Se2O6F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4358]
_cell_length_b [7.0984]
_cell_length_c [6.6399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YSeO3F]
_chemical_formula_sum '[Y2 Se2 O6 F2]'
_cell_volume [207.6658]
_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  2  0.4607  0.2500  0.3666  1.0
  Se  Se1  2  0.3231  0.7500  0.1455  1.0
  O  O2  4  0.4446  0.5739  0.3206  1.0
  O  O3  2  0.4102  0.2500  0.0181  1.0
  F  F4  2  0.0396  0.7500  0.6447  1.0
]