data_[Na4Li4Mn4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1646]
_cell_length_b [12.8592]
_cell_length_c [10.6836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaLiMnI5]
_chemical_formula_sum '[Na4 Li4 Mn4 I20]'
_cell_volume [1238.5351]
_cell_formula_units_Z [4]
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  4  0.0000  0.1838  0.7500  1.0
  Li  Li1  4  0.0000  0.5000  0.0000  1.0
  Mn  Mn2  4  0.0000  0.1628  0.2500  1.0
  I  I3  8  0.1122  0.2770  0.1188  1.0
  I  I4  8  0.1728  0.0293  0.4392  1.0
  I  I5  4  0.0000  0.4278  0.7500  1.0
]