data_[Cs2Tb2Sc2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6413]
_cell_length_b [4.4169]
_cell_length_c [10.5484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTbScSe3]
_chemical_formula_sum '[Cs2 Tb2 Sc2 Se6]'
_cell_volume [418.3558]
_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  0.2195  0.2500  0.2363  1.0
  Tb  Tb1  2  0.3365  0.7500  0.8682  1.0
  Sc  Sc2  2  0.0891  0.2500  0.6100  1.0
  Se  Se3  2  0.1278  0.2500  0.8649  1.0
  Se  Se4  2  0.2011  0.7500  0.5556  1.0
  Se  Se5  2  0.4779  0.7500  0.1543  1.0
]