data_[Li2Nb2Ag4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.4149]
_cell_length_b [7.2827]
_cell_length_c [7.0352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiNb(AgSe2)2]
_chemical_formula_sum '[Li2 Nb2 Ag4 Se8]'
_cell_volume [431.1399]
_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  0.0000  0.8407  0.4934  1.0
  Nb  Nb1  2  0.0000  0.1735  0.9947  1.0
  Ag  Ag2  4  0.2477  0.6821  0.0136  1.0
  Se  Se3  4  0.2408  0.3319  0.8894  1.0
  Se  Se4  2  0.0000  0.1639  0.3397  1.0
  Se  Se5  2  0.0000  0.8632  0.8663  1.0
]