data_[Li6Tm4U2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7190]
_cell_length_b [11.6349]
_cell_length_c [6.5686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Tm2US6]
_chemical_formula_sum '[Li6 Tm4 U2 S12]'
_cell_volume [482.8107]
_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
[
  Li  Li0  4  0.0000  0.1689  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  4  0.0000  0.3335  0.0000  1
  U  U3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2476  0.3312  0.7490  1
  S  S5  4  0.2463  0.5000  0.2514  1
]