data_[Cs2Tb2Cu2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7715]
_cell_length_b [4.1415]
_cell_length_c [10.1374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTbCuSe3]
_chemical_formula_sum '[Cs2 Tb2 Cu2 Se6]'
_cell_volume [380.3424]
_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  0.2143  0.2500  0.2486  1.0
  Tb  Tb1  2  0.3262  0.7500  0.8599  1.0
  Cu  Cu2  2  0.0838  0.2500  0.6106  1.0
  Se  Se3  2  0.1229  0.2500  0.8613  1.0
  Se  Se4  2  0.1780  0.7500  0.5464  1.0
  Se  Se5  2  0.4776  0.7500  0.1623  1.0
]