data_[Na2Li1Ni1Cl6]
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 [6.5356]
_cell_length_b [6.7042]
_cell_length_c [6.7913]
_cell_angle_alpha [62.9996]
_cell_angle_beta [61.6547]
_cell_angle_gamma [64.6328]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2LiNiCl6]
_chemical_formula_sum '[Na2 Li1 Ni1 Cl6]'
_cell_volume [224.5808]
_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  0.0196  0.9375  0.0039  1.0
  Na  Na1  1  0.5513  0.3877  0.5408  1.0
  Li  Li2  1  0.7486  0.6178  0.8074  1.0
  Ni  Ni3  1  0.3294  0.0144  0.3311  1.0
  Cl  Cl4  1  0.0122  0.2287  0.2158  1.0
  Cl  Cl5  1  0.0983  0.7372  0.6876  1.0
  Cl  Cl6  1  0.2157  0.2377  0.5458  1.0
  Cl  Cl7  1  0.4329  0.7780  0.1239  1.0
  Cl  Cl8  1  0.5922  0.2774  0.9688  1.0
  Cl  Cl9  1  0.6613  0.7987  0.4365  1.0
]