data_[Na4Ag4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1657]
_cell_length_b [8.4550]
_cell_length_c [6.9046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaAgSe2]
_chemical_formula_sum '[Na4 Ag4 Se8]'
_cell_volume [400.9609]
_cell_formula_units_Z [4]
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  4  0.2704  0.1347  0.9926  1.0
  Ag  Ag1  4  0.2302  0.6339  0.0045  1.0
  Se  Se2  4  0.0097  0.0779  0.2987  1.0
  Se  Se3  4  0.4232  0.6566  0.7442  1.0
]