data_[Cs3Tb1Cu2Cl9]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.3296]
_cell_length_b [7.3296]
_cell_length_c [9.0468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3TbCu2Cl9]
_chemical_formula_sum '[Cs3 Tb1 Cu2 Cl9]'
_cell_volume [420.9109]
_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  2  0.3333  0.6667  0.3274  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Tb  Tb2  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu3  2  0.3333  0.6667  0.8703  1.0
  Cl  Cl4  6  0.1703  0.3405  0.6708  1.0
  Cl  Cl5  3  0.0000  0.5000  0.0000  1.0
]