data_[K4Na2Ni2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  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 [7.3280]
_cell_length_b [7.8850]
_cell_length_c [12.8150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2NaNiBr6]
_chemical_formula_sum '[K4 Na2 Ni2 Br12]'
_cell_volume [612.1215]
_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  0.2716  0.0807  0.2441  1.0
  Na  Na1  2  0.5000  0.0000  0.0000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1446  0.0022  0.7229  1.0
  Br  Br4  4  0.2232  0.7102  0.5354  1.0
  Br  Br5  4  0.3135  0.1646  0.5393  1.0
]