data_[K1Ag1Sn2Br6]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5216]
_cell_length_b [7.8138]
_cell_length_c [8.1025]
_cell_angle_alpha [63.4563]
_cell_angle_beta [63.3558]
_cell_angle_gamma [62.9146]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KAg(SnBr3)2]
_chemical_formula_sum '[K1 Ag1 Sn2 Br6]'
_cell_volume [360.8995]
_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  0.2017  0.1881  0.4206  1.0
  Ag  Ag1  1  0.6780  0.6806  0.9412  1.0
  Sn  Sn2  1  0.0085  0.9746  0.0222  1.0
  Sn  Sn3  1  0.5048  0.4895  0.5372  1.0
  Br  Br4  1  0.0547  0.7788  0.7754  1.0
  Br  Br5  1  0.2717  0.6261  0.2271  1.0
  Br  Br6  1  0.4027  0.0622  0.7738  1.0
  Br  Br7  1  0.6192  0.8404  0.2752  1.0
  Br  Br8  1  0.7710  0.4021  0.7498  1.0
  Br  Br9  1  0.8262  0.2960  0.2622  1.0
]