data_[Cs2Mn4I12]
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 [15.8406]
_cell_length_b [5.5139]
_cell_length_c [10.8376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(MnI3)2]
_chemical_formula_sum '[Cs2 Mn4 I12]'
_cell_volume [932.1148]
_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  0.5000  1.0
  Mn  Mn1  4  0.2350  0.0000  0.1508  1.0
  I  I2  4  0.0762  0.0000  0.1822  1.0
  I  I3  4  0.1737  0.5000  0.6225  1.0
  I  I4  4  0.2144  0.0000  0.8908  1.0
]