data_[K1Ag1Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4724]
_cell_length_b [5.4726]
_cell_length_c [5.5260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KAgBr2]
_chemical_formula_sum '[K1 Ag1 Br2]'
_cell_volume [134.9903]
_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  0.5037  0.0000  0.6098  1.0
  Ag  Ag1  1  0.9999  0.5000  0.1273  1.0
  Br  Br2  1  0.0914  0.5000  0.6336  1.0
  Br  Br3  1  0.9049  0.0000  0.1294  1.0
]