data_[Cs4Tb4Zn4S12]
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
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.6260]
_cell_length_b [4.0392]
_cell_length_c [15.4148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsTbZnS3]
_chemical_formula_sum '[Cs4 Tb4 Zn4 S12]'
_cell_volume [661.6083]
_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  0.2460  0.7500  0.9894  1
  Tb  Tb1  4  0.0004  0.2500  0.7482  1
  Zn  Zn2  4  0.2495  0.2500  0.2092  1
  S  S3  4  0.0592  0.2500  0.1360  1
  S  S4  4  0.0623  0.7500  0.6333  1
  S  S5  4  0.2498  0.2500  0.8006  1
]