data_[Na1Li2Ni1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3139]
_cell_length_b [6.3147]
_cell_length_c [6.8033]
_cell_angle_alpha [62.8904]
_cell_angle_beta [66.2536]
_cell_angle_gamma [63.0501]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaLi2NiCl6]
_chemical_formula_sum '[Na1 Li2 Ni1 Cl6]'
_cell_volume [208.5469]
_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
[
  Na  Na0  1  0.8140  0.8102  0.5624  1.0
  Li  Li1  1  0.0057  0.9872  0.9808  1.0
  Li  Li2  1  0.5433  0.5202  0.4315  1.0
  Ni  Ni3  1  0.3292  0.3263  0.0125  1.0
  Cl  Cl4  1  0.1309  0.3749  0.7792  1.0
  Cl  Cl5  1  0.2489  0.9624  0.2329  1.0
  Cl  Cl6  1  0.3792  0.7018  0.7827  1.0
  Cl  Cl7  1  0.5585  0.2550  0.2327  1.0
  Cl  Cl8  1  0.7113  0.1400  0.7585  1.0
  Cl  Cl9  1  0.9407  0.5836  0.2420  1.0
]