data_[K4Ni2Ag2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3221]
_cell_length_b [7.4160]
_cell_length_c [12.8332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2NiAgBr6]
_chemical_formula_sum '[K4 Ni2 Ag2 Br12]'
_cell_volume [574.2685]
_cell_formula_units_Z [2]
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  4  0.2633  0.0493  0.2498  1.0
  Ni  Ni1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1786  0.5033  0.2335  1.0
  Br  Br4  4  0.2259  0.7220  0.5250  1.0
  Br  Br5  4  0.3022  0.1981  0.5293  1.0
]