data_[Na2Th2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Th  1.3000  1.8000  1.0800
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0042]
_cell_length_b [4.2847]
_cell_length_c [9.9780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaThAgSe3]
_chemical_formula_sum '[Na2 Th2 Ag2 Se6]'
_cell_volume [332.3367]
_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  0.2550  0.7500  0.3037  1
  Th  Th1  2  0.3019  0.2500  0.8365  1
  Ag  Ag2  2  0.0861  0.7500  0.5868  1
  Se  Se3  2  0.0613  0.7500  0.8482  1
  Se  Se4  2  0.2754  0.2500  0.5420  1
  Se  Se5  2  0.4350  0.2500  0.1436  1
]