data_[Cs2Tb2Se1S3]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1564]
_cell_length_b [4.1564]
_cell_length_c [16.2563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Cs2Tb2SeS3]
_chemical_formula_sum '[Cs2 Tb2 Se1 S3]'
_cell_volume [243.2166]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.2528  1
  Cs  Cs1  1  0.6667  0.3333  0.7444  1
  Tb  Tb2  1  0.3333  0.6667  0.0056  1
  Tb  Tb3  1  0.3333  0.6667  0.4992  1
  Se  Se4  1  0.0000  0.0000  0.9059  1
  S  S5  1  0.0000  0.0000  0.5881  1
  S  S6  1  0.6667  0.3333  0.0942  1
  S  S7  1  0.6667  0.3333  0.4098  1
]