data_[K2Y2Ag2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.6595]
_cell_length_b [5.0191]
_cell_length_c [8.0242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [KYAgSe2]
_chemical_formula_sum '[K2 Y2 Ag2 Se4]'
_cell_volume [305.4720]
_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  0.5000  0.1156  0.2500  1
  Y  Y1  2  0.0000  0.4947  0.7500  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.2498  0.3811  0.5321  1
]