data_[Tm4Tl6Bi2Te12]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7518]
_cell_length_b [13.4329]
_cell_length_c [8.5336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Tl3BiTe6]
_chemical_formula_sum '[Tm4 Tl6 Bi2 Te12]'
_cell_volume [846.7754]
_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  0.3328  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1650  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2420  0.1708  0.2131  1.0
  Te  Te5  4  0.2290  0.5000  0.2126  1.0
]