data_[Tb6Mn2Ag8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  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 [13.1745]
_cell_length_b [7.8335]
_cell_length_c [8.8272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Mn(AgS2)4]
_chemical_formula_sum '[Tb6 Mn2 Ag8 S16]'
_cell_volume [713.6030]
_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  4  0.2500  0.2500  0.0000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag5  2  0.0000  0.5000  0.0000  1.0
  S  S6  8  0.0126  0.7812  0.3185  1.0
  S  S7  4  0.2317  0.5000  0.1991  1.0
  S  S8  4  0.2394  0.0000  0.2079  1.0
]