data_[Na2Li1Mn1Cl6]
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
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5902]
_cell_length_b [6.8551]
_cell_length_c [6.8875]
_cell_angle_alpha [63.6639]
_cell_angle_beta [65.2125]
_cell_angle_gamma [61.7246]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2LiMnCl6]
_chemical_formula_sum '[Na2 Li1 Mn1 Cl6]'
_cell_volume [236.8071]
_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  0.4607  0.4537  0.5968  1
  Na  Na1  1  0.9857  0.0026  0.0556  1
  Li  Li2  1  0.2465  0.1917  0.3907  1
  Mn  Mn3  1  0.6715  0.6698  0.9850  1
  Cl  Cl4  1  0.3306  0.5692  0.2064  1
  Cl  Cl5  1  0.3955  0.0443  0.7182  1
  Cl  Cl6  1  0.5714  0.8851  0.2169  1
  Cl  Cl7  1  0.7722  0.4486  0.7695  1
  Cl  Cl8  1  0.9072  0.2991  0.2712  1
  Cl  Cl9  1  0.9970  0.7744  0.7746  1
]