data_[Cs2Tm2Ti2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Ti  1.5400  1.4000  0.8517
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7820]
_cell_length_b [7.1664]
_cell_length_c [9.9336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTmTiSe4]
_chemical_formula_sum '[Cs2 Tm2 Ti2 Se8]'
_cell_volume [455.8678]
_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  0.2556  0.2500  0.0560  1.0
  Tm  Tm1  2  0.2072  0.2500  0.5420  1.0
  Ti  Ti2  2  0.2366  0.7500  0.3440  1.0
  Se  Se3  4  0.0122  0.5044  0.6903  1.0
  Se  Se4  2  0.4433  0.7500  0.1920  1.0
  Se  Se5  2  0.4627  0.7500  0.5788  1.0
]