data_[Tb2Tm2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7052]
_cell_length_b [3.8675]
_cell_length_c [7.7280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbTmS3]
_chemical_formula_sum '[Tb2 Tm2 S6]'
_cell_volume [229.5149]
_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  0.3804  0.2500  0.2299  1.0
  Tm  Tm1  2  0.1464  0.7500  0.6793  1.0
  S  S2  2  0.1014  0.7500  0.3209  1.0
  S  S3  2  0.3197  0.7500  0.9801  1.0
  S  S4  2  0.3769  0.2500  0.6130  1.0
]