data_[Cs2Ti2Rh2Se6]
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
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2117]
_cell_length_b [3.8025]
_cell_length_c [10.1483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTiRhSe3]
_chemical_formula_sum '[Cs2 Ti2 Rh2 Se6]'
_cell_volume [318.7388]
_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  0.2378  0.2500  0.2567  1.0
  Ti  Ti1  2  0.3086  0.7500  0.8387  1.0
  Rh  Rh2  2  0.0873  0.2500  0.6000  1.0
  Se  Se3  2  0.1322  0.2500  0.8628  1.0
  Se  Se4  2  0.2313  0.7500  0.5674  1.0
  Se  Se5  2  0.4785  0.7500  0.1324  1.0
]