data_[Li2Ag2As2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9709]
_cell_length_b [3.7329]
_cell_length_c [10.3303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiAgAsSe3]
_chemical_formula_sum '[Li2 Ag2 As2 Se6]'
_cell_volume [263.2477]
_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
[
  Li  Li0  2  0.3686  0.2500  0.3443  1.0
  Ag  Ag1  2  0.3439  0.7500  0.9561  1.0
  As  As2  2  0.1048  0.2500  0.6616  1.0
  Se  Se3  2  0.0085  0.2500  0.1931  1.0
  Se  Se4  2  0.2366  0.7500  0.5032  1.0
  Se  Se5  2  0.4866  0.2500  0.7910  1.0
]