data_[K2Ag2P2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9701]
_cell_length_b [6.6638]
_cell_length_c [9.5489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KAgPSe4]
_chemical_formula_sum '[K2 Ag2 P2 Se8]'
_cell_volume [433.4904]
_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  0.2060  0.7500  0.0135  1.0
  Ag  Ag1  2  0.1657  0.7500  0.5640  1.0
  P  P2  2  0.2455  0.2500  0.2891  1.0
  Se  Se3  4  0.0358  0.5053  0.3003  1.0
  Se  Se4  2  0.3382  0.2500  0.0855  1.0
  Se  Se5  2  0.4841  0.2500  0.4878  1.0
]