data_[Tb2Sn6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.3372]
_cell_length_b [3.8744]
_cell_length_c [12.3346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(SnS2)3]
_chemical_formula_sum '[Tb2 Sn6 S12]'
_cell_volume [491.4434]
_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  0.2850  0.2500  0.9379  1.0
  Sn  Sn1  2  0.1201  0.7500  0.1550  1.0
  Sn  Sn2  2  0.1510  0.2500  0.5176  1.0
  Sn  Sn3  2  0.4583  0.7500  0.7408  1.0
  S  S4  2  0.0923  0.7500  0.9281  1.0
  S  S5  2  0.1080  0.7500  0.3643  1.0
  S  S6  2  0.2469  0.7500  0.7606  1.0
  S  S7  2  0.2873  0.2500  0.1789  1.0
  S  S8  2  0.4105  0.2500  0.5887  1.0
  S  S9  2  0.4746  0.7500  0.0871  1.0
]