data_[Na6Mn3Ni3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6825]
_cell_length_b [6.6825]
_cell_length_c [17.1600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2MnNiCl6]
_chemical_formula_sum '[Na6 Mn3 Ni3 Cl18]'
_cell_volume [663.6336]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4682  1.0
  Na  Na1  3  0.0000  0.0000  0.9717  1.0
  Mn  Mn2  3  0.0000  0.0000  0.1816  1.0
  Ni  Ni3  3  0.0000  0.0000  0.6784  1.0
  Cl  Cl4  9  0.0046  0.3973  0.4214  1.0
  Cl  Cl5  9  0.0668  0.7180  0.2581  1.0
]