data_[Tb2Cu2Sn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  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 [7.4809]
_cell_length_b [3.8995]
_cell_length_c [9.4111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbCuSnS3]
_chemical_formula_sum '[Tb2 Cu2 Sn2 S6]'
_cell_volume [266.3167]
_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  0.3031  0.7500  0.3431  1
  Cu  Cu1  2  0.0795  0.2500  0.0879  1
  Sn  Sn2  2  0.2450  0.2500  0.8034  1
  S  S3  2  0.0433  0.2500  0.3279  1
  S  S4  2  0.2468  0.7500  0.0432  1
  S  S5  2  0.4330  0.7500  0.6450  1
]