data_[Tm4Tl4In2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8207]
_cell_length_b [11.8338]
_cell_length_c [7.5899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Tl2InS6]
_chemical_formula_sum '[Tm4 Tl4 In2 S12]'
_cell_volume [583.6043]
_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
[
  Tm  Tm0  4  0.0000  0.3318  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1692  0.0000  1.0
  In  In2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2350  0.1674  0.7054  1.0
  S  S4  4  0.2455  0.5000  0.6973  1.0
]