data_[Li2Mn4Cl16]
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 [C2/m]
_cell_length_a [12.0924]
_cell_length_b [9.3133]
_cell_length_c [6.2892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(MnCl4)2]
_chemical_formula_sum '[Li2 Mn4 Cl16]'
_cell_volume [691.4690]
_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  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.1956  0.0000  0.6917  1.0
  Cl  Cl2  8  0.1028  0.1758  0.8065  1.0
  Cl  Cl3  4  0.1249  0.5000  0.1812  1.0
  Cl  Cl4  4  0.1951  0.0000  0.3456  1.0
]