data_[Cs3Sr1Mn2I9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.5270]
_cell_length_b [8.5270]
_cell_length_c [10.5379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3SrMn2I9]
_chemical_formula_sum '[Cs3 Sr1 Mn2 I9]'
_cell_volume [663.5458]
_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  2  0.3333  0.6667  0.3200  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Sr  Sr2  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn3  2  0.3333  0.6667  0.8433  1.0
  I  I4  6  0.1752  0.3505  0.6828  1.0
  I  I5  3  0.0000  0.5000  0.0000  1.0
]