data_[Li8Mn8Cl24]
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/c]
_cell_length_a [12.5341]
_cell_length_b [11.5039]
_cell_length_c [6.6008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMnCl3]
_chemical_formula_sum '[Li8 Mn8 Cl24]'
_cell_volume [932.4151]
_cell_formula_units_Z [8]
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  4  0.0000  0.0983  0.7500  1.0
  Li  Li1  4  0.0000  0.2450  0.2500  1.0
  Mn  Mn2  8  0.1951  0.4055  0.7960  1.0
  Cl  Cl3  8  0.1133  0.0853  0.1221  1.0
  Cl  Cl4  8  0.1166  0.2456  0.6087  1.0
  Cl  Cl5  8  0.1305  0.4180  0.1160  1.0
]