data_[Tm2Sn6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.6371]
_cell_length_b [4.0270]
_cell_length_c [12.5076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm(SnSe2)3]
_chemical_formula_sum '[Tm2 Sn6 Se12]'
_cell_volume [548.1914]
_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  0.2946  0.2500  0.9554  1.0
  Sn  Sn1  2  0.1079  0.7500  0.1680  1.0
  Sn  Sn2  2  0.1601  0.2500  0.5577  1.0
  Sn  Sn3  2  0.4643  0.7500  0.7281  1.0
  Se  Se4  2  0.0915  0.7500  0.3961  1.0
  Se  Se5  2  0.1061  0.7500  0.9422  1.0
  Se  Se6  2  0.2535  0.7500  0.7725  1.0
  Se  Se7  2  0.2824  0.2500  0.1924  1.0
  Se  Se8  2  0.4134  0.2500  0.5709  1.0
  Se  Se9  2  0.4748  0.7500  0.0913  1.0
]