data_[La8Y8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.9908]
_cell_length_b [7.8934]
_cell_length_c [7.8415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La2Y2Se5]
_chemical_formula_sum '[La8 Y8 Se20]'
_cell_volume [927.8680]
_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
[
  La  La0  8  0.1967  0.0000  0.0000  1
  Y  Y1  8  0.0000  0.1511  0.6559  1
  Se  Se2  16  0.1330  0.1572  0.3466  1
  Se  Se3  4  0.0000  0.0000  0.0000  1
]