data_[Cs2Ti2Mn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2876]
_cell_length_b [3.9249]
_cell_length_c [10.2347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTiMnSe3]
_chemical_formula_sum '[Cs2 Ti2 Mn2 Se6]'
_cell_volume [332.9312]
_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  0.2300  0.2500  0.2578  1.0
  Ti  Ti1  2  0.3376  0.7500  0.8655  1.0
  Mn  Mn2  2  0.0879  0.2500  0.6190  1.0
  Se  Se3  2  0.1434  0.2500  0.8727  1.0
  Se  Se4  2  0.2195  0.7500  0.5648  1.0
  Se  Se5  2  0.4785  0.7500  0.1443  1.0
]