data_[Cs2Er2Ti2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  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 [6.8008]
_cell_length_b [7.1620]
_cell_length_c [9.9351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsErTiSe4]
_chemical_formula_sum '[Cs2 Er2 Ti2 Se8]'
_cell_volume [457.1377]
_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  0.2566  0.2500  0.0567  1.0
  Er  Er1  2  0.2084  0.2500  0.5422  1.0
  Ti  Ti2  2  0.2352  0.7500  0.3431  1.0
  Se  Se3  4  0.0123  0.5046  0.6914  1.0
  Se  Se4  2  0.4418  0.7500  0.1913  1.0
  Se  Se5  2  0.4595  0.7500  0.5783  1.0
]