data_[Na2Mn4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5728]
_cell_length_b [4.8352]
_cell_length_c [8.9750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(MnCl3)2]
_chemical_formula_sum '[Na2 Mn4 Cl12]'
_cell_volume [463.3960]
_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
[
  Na  Na0  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  4  0.1695  0.0000  0.0933  1.0
  Cl  Cl2  4  0.0149  0.0000  0.1916  1.0
  Cl  Cl3  4  0.1605  0.5000  0.6279  1.0
  Cl  Cl4  4  0.1915  0.5000  0.0699  1.0
]