data_[Li4Mn4Cl20]
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 [14.0791]
_cell_length_b [6.5256]
_cell_length_c [8.8765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMnCl5]
_chemical_formula_sum '[Li4 Mn4 Cl20]'
_cell_volume [769.6490]
_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
[
  Li  Li0  4  0.0000  0.3618  0.7500  1.0
  Mn  Mn1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1185  0.2326  0.0037  1.0
  Cl  Cl3  8  0.1197  0.2299  0.6214  1.0
  Cl  Cl4  4  0.0000  0.1441  0.2500  1.0
]