data_[Tm2Sb6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.0396]
_cell_length_b [3.9985]
_cell_length_c [12.3244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm(SbSe2)3]
_chemical_formula_sum '[Tm2 Sb6 Se12]'
_cell_volume [573.9538]
_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  2  0.3137  0.2500  0.9690  1.0
  Sb  Sb1  2  0.0976  0.7500  0.1518  1.0
  Sb  Sb2  2  0.1625  0.2500  0.5750  1.0
  Sb  Sb3  2  0.4681  0.7500  0.7109  1.0
  Se  Se4  2  0.1047  0.7500  0.4230  1.0
  Se  Se5  2  0.1211  0.7500  0.9443  1.0
  Se  Se6  2  0.2533  0.2500  0.1970  1.0
  Se  Se7  2  0.2787  0.7500  0.7833  1.0
  Se  Se8  2  0.3805  0.2500  0.5512  1.0
  Se  Se9  2  0.4655  0.7500  0.1004  1.0
]