data_[K3Cr1Ag2Br9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.5806]
_cell_length_b [7.5806]
_cell_length_c [9.3702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3CrAg2Br9]
_chemical_formula_sum '[K3 Cr1 Ag2 Br9]'
_cell_volume [466.3224]
_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  2  0.3333  0.6667  0.3255  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  2  0.3333  0.6667  0.8314  1.0
  Br  Br4  6  0.1584  0.8416  0.6560  1.0
  Br  Br5  3  0.0000  0.5000  0.0000  1.0
]