data_[Tm4Tl6Cu2Se12]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1648]
_cell_length_b [12.0575]
_cell_length_c [7.9133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Tl3CuSe6]
_chemical_formula_sum '[Tm4 Tl6 Cu2 Se12]'
_cell_volume [644.9438]
_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  0.3373  0.0000  1
  Tl  Tl1  4  0.0000  0.1815  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2168  0.1531  0.1881  1
  Se  Se5  4  0.2347  0.5000  0.2309  1
]