data_[K2Th2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [9.0811]
_cell_length_b [4.3409]
_cell_length_c [9.7994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KThAgSe3]
_chemical_formula_sum '[K2 Th2 Ag2 Se6]'
_cell_volume [370.4192]
_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
[
  K  K0  2  0.2086  0.2500  0.2520  1
  Th  Th1  2  0.3149  0.7500  0.8357  1
  Ag  Ag2  2  0.0835  0.2500  0.5907  1
  Se  Se3  2  0.1136  0.2500  0.8717  1
  Se  Se4  2  0.2370  0.7500  0.5317  1
  Se  Se5  2  0.4579  0.7500  0.1517  1
]