data_[Cs2Ho2Ti2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6131]
_cell_length_b [6.8787]
_cell_length_c [9.5612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHoTiS4]
_chemical_formula_sum '[Cs2 Ho2 Ti2 S8]'
_cell_volume [411.6923]
_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  0.2665  0.2500  0.0588  1.0
  Ho  Ho1  2  0.2070  0.2500  0.5428  1.0
  Ti  Ti2  2  0.2397  0.7500  0.3444  1.0
  S  S3  4  0.0006  0.5004  0.6865  1.0
  S  S4  2  0.4453  0.7500  0.1975  1.0
  S  S5  2  0.4601  0.7500  0.5737  1.0
]