data_[Tb2Zr4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6036]
_cell_length_b [11.4220]
_cell_length_c [6.7938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbZr2(AgS3)2]
_chemical_formula_sum '[Tb2 Zr4 Ag4 S12]'
_cell_volume [511.2223]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.5000  1
  Zr  Zr1  4  0.0000  0.3405  0.5000  1
  Ag  Ag2  4  0.0000  0.1247  0.0000  1
  S  S3  8  0.1929  0.1787  0.7162  1
  S  S4  4  0.1668  0.5000  0.7234  1
]