data_[Cs1Mn1Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1560]
_cell_length_b [8.2335]
_cell_length_c [10.6684]
_cell_angle_alpha [74.7686]
_cell_angle_beta [76.5137]
_cell_angle_gamma [75.1213]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsMn(SnI4)2]
_chemical_formula_sum '[Cs1 Mn1 Sn2 I8]'
_cell_volume [576.8221]
_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  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4161  0.4471  0.7303  1.0
  I  I3  2  0.1767  0.6953  0.2336  1.0
  I  I4  2  0.2405  0.2016  0.9995  1.0
  I  I5  2  0.2614  0.8569  0.8160  1.0
  I  I6  2  0.4337  0.2600  0.5169  1.0
]