data_[Tm4Tl6In2Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6741]
_cell_length_b [13.2853]
_cell_length_c [8.5229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Tl3InTe6]
_chemical_formula_sum '[Tm4 Tl6 In2 Te12]'
_cell_volume [828.8436]
_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  0.3342  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1707  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2344  0.1654  0.2086  1.0
  Te  Te5  4  0.2393  0.5000  0.2127  1.0
]