data_[Tm2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2442]
_cell_length_b [5.6006]
_cell_length_c [9.4733]
_cell_angle_alpha [76.0635]
_cell_angle_beta [86.3785]
_cell_angle_gamma [89.6601]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmSe3]
_chemical_formula_sum '[Tm2 Se6]'
_cell_volume [218.1027]
_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  0.2680  0.1964  0.6368  1.0
  Se  Se1  2  0.2186  0.7223  0.5681  1.0
  Se  Se2  2  0.2646  0.0509  0.1591  1.0
  Se  Se3  2  0.4475  0.6788  0.1235  1.0
]