data_[Tb4Sn2S8]
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 [C2/m]
_cell_length_a [15.0427]
_cell_length_b [4.0246]
_cell_length_c [6.9640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2SnS4]
_chemical_formula_sum '[Tb4 Sn2 S8]'
_cell_volume [380.0618]
_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  0.2270  0.5000  0.7192  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1343  0.0000  0.4495  1.0
  S  S3  4  0.1458  0.5000  0.0042  1.0
]