data_[Ba4Li4Y2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5646]
_cell_length_b [4.2461]
_cell_length_c [7.6479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li2YSe4]
_chemical_formula_sum '[Ba4 Li4 Y2 Se8]'
_cell_volume [474.0661]
_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
[
  Ba  Ba0  4  0.1335  0.0000  0.5581  1.0
  Li  Li1  4  0.1799  0.5000  0.9931  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0176  0.5000  0.7526  1.0
  Se  Se4  4  0.2028  0.0000  0.1912  1.0
]