data_[Y8Se6O8]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3383]
_cell_length_b [3.8773]
_cell_length_c [12.5551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Y4Se3O4]
_chemical_formula_sum '[Y8 Se6 O8]'
_cell_volume [405.9124]
_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  4  0.2409  0.0000  0.6809  1.0
  Y  Y1  2  0.0000  0.0000  0.0073  1.0
  Y  Y2  2  0.5000  0.0000  0.0177  1.0
  Se  Se3  4  0.3466  0.0000  0.3535  1.0
  Se  Se4  2  0.0000  0.0000  0.3225  1.0
  O  O5  4  0.2460  0.0000  0.0868  1.0
  O  O6  2  0.0000  0.0000  0.5949  1.0
  O  O7  2  0.5000  0.0000  0.6145  1.0
]