data_[Tm4Ag6Bi2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7845]
_cell_length_b [4.1459]
_cell_length_c [8.1305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Ag3BiSe6]
_chemical_formula_sum '[Tm4 Ag6 Bi2 Se12]'
_cell_volume [587.9508]
_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  0.1682  0.0000  0.3291  1.0
  Ag  Ag1  4  0.1683  0.0000  0.8199  1.0
  Ag  Ag2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0024  0.0000  0.2606  1.0
  Se  Se5  4  0.1687  0.5000  0.0857  1.0
  Se  Se6  4  0.1689  0.5000  0.5728  1.0
]