data_[K2Ag4Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8817]
_cell_length_b [2.9961]
_cell_length_c [7.7518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KAg2Se]
_chemical_formula_sum '[K2 Ag4 Se2]'
_cell_volume [216.1295]
_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  0.0334  0.5000  0.5199  1
  Ag  Ag1  2  0.2012  0.5000  0.1817  1
  Ag  Ag2  2  0.4398  0.5000  0.0525  1
  Se  Se3  2  0.3256  0.0000  0.7458  1
]