data_[Y4Se8]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3347]
_cell_length_b [4.0908]
_cell_length_c [8.2448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YSe2]
_chemical_formula_sum '[Y4 Se8]'
_cell_volume [281.1138]
_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  0.2740  0.7273  0.6259  1.0
  Se  Se1  4  0.0017  0.1970  0.6207  1.0
  Se  Se2  4  0.3705  0.2447  0.8748  1.0
]