data_[Cs2Ho2Ti2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ho  1.2300  1.7500  1.0410
  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 [6.8166]
_cell_length_b [7.1646]
_cell_length_c [9.9329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHoTiSe4]
_chemical_formula_sum '[Cs2 Ho2 Ti2 Se8]'
_cell_volume [458.6177]
_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  0.2574  0.2500  0.0571  1.0
  Ho  Ho1  2  0.2094  0.2500  0.5423  1.0
  Ti  Ti2  2  0.2342  0.7500  0.3424  1.0
  Se  Se3  4  0.0116  0.5045  0.6923  1.0
  Se  Se4  2  0.4403  0.7500  0.1910  1.0
  Se  Se5  2  0.4562  0.7500  0.5774  1.0
]