data_[K2Rb4Ni2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6869]
_cell_length_b [8.2647]
_cell_length_c [13.4159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KRb2NiBr6]
_chemical_formula_sum '[K2 Rb4 Ni2 Br12]'
_cell_volume [699.1796]
_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
[
  Rb  Rb0  4  0.2186  0.5742  0.7432  1.0
  K  K1  2  0.5000  0.0000  0.0000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1307  0.7256  0.4553  1.0
  Br  Br4  4  0.2224  0.1570  0.4629  1.0
  Br  Br5  4  0.2891  0.5152  0.2108  1.0
]