data_[Cs2Ho2Tl2Se6]
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
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3455]
_cell_length_b [4.2044]
_cell_length_c [11.5267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHoTlSe3]
_chemical_formula_sum '[Cs2 Ho2 Tl2 Se6]'
_cell_volume [426.8451]
_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  0.2257  0.2500  0.2641  1.0
  Ho  Ho1  2  0.3576  0.7500  0.8577  1.0
  Tl  Tl2  2  0.1321  0.2500  0.5810  1.0
  Se  Se3  2  0.1301  0.2500  0.8197  1.0
  Se  Se4  2  0.3370  0.7500  0.5964  1.0
  Se  Se5  2  0.4257  0.7500  0.1150  1.0
]