data_[Cs2Mn4I14]
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 [Cmmm]
_cell_length_a [9.0001]
_cell_length_b [20.8654]
_cell_length_c [4.6699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CsMn2I7]
_chemical_formula_sum '[Cs2 Mn4 I14]'
_cell_volume [876.9689]
_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  2  0.0000  0.0000  0.0000  1
  Mn  Mn1  4  0.0000  0.3665  0.5000  1
  I  I2  8  0.2043  0.1300  0.5000  1
  I  I3  4  0.0000  0.2963  0.0000  1
  I  I4  2  0.0000  0.5000  0.5000  1
]