data_[K1Cu1Ag1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6224]
_cell_length_b [7.1547]
_cell_length_c [7.6479]
_cell_angle_alpha [91.8782]
_cell_angle_beta [105.0567]
_cell_angle_gamma [109.6433]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KCuAgBr6]
_chemical_formula_sum '[K1 Cu1 Ag1 Br6]'
_cell_volume [326.6761]
_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  0.0003  0.9939  0.9924  1.0
  Cu  Cu1  1  0.6756  0.4558  0.3636  1.0
  Ag  Ag2  1  0.3207  0.5417  0.6410  1.0
  Br  Br3  1  0.3387  0.2520  0.4258  1.0
  Br  Br4  1  0.4045  0.8216  0.8983  1.0
  Br  Br5  1  0.6192  0.2053  0.1214  1.0
  Br  Br6  1  0.6758  0.7399  0.5532  1.0
  Br  Br7  1  0.9663  0.3315  0.7082  1.0
  Br  Br8  1  0.9988  0.6583  0.2959  1.0
]