data_[Cs1Li2Mn1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-1]
_cell_length_a [5.9110]
_cell_length_b [6.3322]
_cell_length_c [8.7023]
_cell_angle_alpha [84.5060]
_cell_angle_beta [79.3783]
_cell_angle_gamma [85.3966]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLi2MnCl8]
_chemical_formula_sum '[Cs1 Li2 Mn1 Cl8]'
_cell_volume [318.0182]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.5000  0.0000  0.5000  1.0
  Li  Li1  2  0.0906  0.5124  0.7976  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0698  0.1018  0.2329  1.0
  Cl  Cl4  2  0.2156  0.6824  0.0243  1.0
  Cl  Cl5  2  0.2317  0.5073  0.5088  1.0
  Cl  Cl6  2  0.3107  0.1675  0.8695  1.0
]