data_[K2Na2Ni2Br8]
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/m]
_cell_length_a [6.8163]
_cell_length_b [7.4205]
_cell_length_c [9.1335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNaNiBr4]
_chemical_formula_sum '[K2 Na2 Ni2 Br8]'
_cell_volume [440.0535]
_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  2  0.2325  0.2500  0.0547  1
  Na  Na1  2  0.2090  0.2500  0.5454  1
  Ni  Ni2  2  0.2483  0.7500  0.3211  1
  Br  Br3  4  0.0048  0.5060  0.2751  1
  Br  Br4  2  0.3833  0.7500  0.1100  1
  Br  Br5  2  0.4298  0.7500  0.5864  1
]