data_[Li10Mn2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [I-4]
_cell_length_a [9.1170]
_cell_length_b [9.1170]
_cell_length_c [7.2738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Li5MnCl8]
_chemical_formula_sum '[Li10 Mn2 Cl16]'
_cell_volume [604.5924]
_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
[
  Li  Li0  8  0.1975  0.2659  0.3762  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Mn  Mn2  2  0.0000  0.5000  0.7500  1
  Cl  Cl3  8  0.0478  0.7249  0.8565  1
  Cl  Cl4  8  0.0649  0.7651  0.3713  1
]