data_[Cs4Tb8Cu12Se16S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1058]
_cell_length_b [14.7025]
_cell_length_c [17.2677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsTb2Cu3Se4S]
_chemical_formula_sum '[Cs4 Tb8 Cu12 Se16 S4]'
_cell_volume [1042.3829]
_cell_formula_units_Z [4]
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  4  0.0000  0.0659  0.2500  1
  Tb  Tb1  8  0.0000  0.1929  0.5945  1
  Cu  Cu2  8  0.0000  0.4155  0.5291  1
  Cu  Cu3  4  0.0000  0.3367  0.2500  1
  Se  Se4  8  0.0000  0.1674  0.0699  1
  Se  Se5  8  0.0000  0.4406  0.1138  1
  S  S6  4  0.0000  0.2309  0.7500  1
]