data_[Cs4Mn4I14]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1961]
_cell_length_b [13.9997]
_cell_length_c [7.3445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Mn2I7]
_chemical_formula_sum '[Cs4 Mn4 I14]'
_cell_volume [1241.3878]
_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
[
  Cs  Cs0  4  0.0000  0.2726  0.0000  1
  Mn  Mn1  4  0.2223  0.0000  0.4604  1
  I  I2  8  0.2390  0.3431  0.7143  1
  I  I3  4  0.1716  0.5000  0.2033  1
  I  I4  2  0.0000  0.0000  0.5000  1
]