data_[Tm6U4Se16]
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 [C2/m]
_cell_length_a [14.5844]
_cell_length_b [8.0761]
_cell_length_c [6.8793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3(USe4)2]
_chemical_formula_sum '[Tm6 U4 Se16]'
_cell_volume [766.0051]
_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  0.0000  0.2595  0.0000  1
  Tm  Tm1  2  0.0000  0.0000  0.5000  1
  U  U2  4  0.2423  0.5000  0.6698  1
  Se  Se3  8  0.1227  0.2369  0.4129  1
  Se  Se4  4  0.1120  0.5000  0.8962  1
  Se  Se5  4  0.1160  0.0000  0.9183  1
]