data_KAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.07
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   91.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAgSe2
_chemical_formula_sum   'K1 Ag1 Se2'
_cell_volume   99.17
_cell_formula_units_Z   1
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  K1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.44  0.0  0.03  1.0
  Se  Se2  1  0.53  0.04  0.24  1.0
  Se  Se3  1  0.34  0.04  0.82  1.0

data_KAgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.07
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   91.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAgSe2
_chemical_formula_sum   'K1 Ag1 Se2'
_cell_volume   99.17
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.44  0.0  0.03  1.0
  Se  Se2  1  0.34  0.04  0.82  1.0
  Se  Se3  1  0.53  0.04  0.24  1.0

K Ag Se Se
K Ag Se Se 0 1 o o o 0 3 o o - 1 2 o o o 1 3 o o - 