data_[Cs2Li2P2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8655]
_cell_length_b [6.5180]
_cell_length_c [10.3681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLiPSe4]
_chemical_formula_sum '[Cs2 Li2 P2 Se8]'
_cell_volume [451.0404]
_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
[
  Cs  Cs0  2  0.2068  0.7500  0.0223  1.0
  Li  Li1  2  0.1514  0.7500  0.5405  1.0
  P  P2  2  0.2487  0.2500  0.3139  1.0
  Se  Se3  4  0.0309  0.5078  0.3113  1.0
  Se  Se4  2  0.3715  0.2500  0.1381  1.0
  Se  Se5  2  0.4867  0.2500  0.5040  1.0
]