data_[Na2Li2P2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [6.6335]
_cell_length_b [6.3878]
_cell_length_c [9.3146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLiPSe4]
_chemical_formula_sum '[Na2 Li2 P2 Se8]'
_cell_volume [378.9727]
_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
[
  Na  Na0  2  0.1847  0.2500  0.0287  1
  Li  Li1  2  0.2497  0.2500  0.6628  1
  P  P2  2  0.2498  0.7500  0.2879  1
  Se  Se3  4  0.0218  0.0122  0.2633  1
  Se  Se4  2  0.4032  0.7500  0.1074  1
  Se  Se5  2  0.4987  0.2500  0.4906  1
]