data_[Tm2U6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.5202]
_cell_length_b [3.9860]
_cell_length_c [11.9600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm(USe2)3]
_chemical_formula_sum '[Tm2 U6 Se12]'
_cell_volume [520.2949]
_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  0.0418  0.2500  0.6901  1
  U  U1  2  0.1489  0.2500  0.0736  1
  U  U2  2  0.3192  0.7500  0.4998  1
  U  U3  2  0.4253  0.2500  0.8332  1
  Se  Se4  2  0.0843  0.7500  0.8895  1
  Se  Se5  2  0.1122  0.2500  0.4654  1
  Se  Se6  2  0.1911  0.7500  0.2510  1
  Se  Se7  2  0.2468  0.7500  0.7155  1
  Se  Se8  2  0.3932  0.2500  0.0630  1
  Se  Se9  2  0.4936  0.2500  0.6254  1
]