data_[Li6Tm8Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9861]
_cell_length_b [12.1692]
_cell_length_c [8.5107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.2358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(TmTe2)4]
_chemical_formula_sum '[Li6 Tm8 Te16]'
_cell_volume [889.4226]
_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  0.2500  0.2500  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.2500  0.2500  0.0000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm4  2  0.0000  0.0000  0.5000  1.0
  Te  Te5  4  0.0000  0.2503  0.0000  1.0
  Te  Te6  4  0.0000  0.2511  0.5000  1.0
  Te  Te7  4  0.2419  0.5000  0.9981  1.0
  Te  Te8  4  0.2481  0.0000  0.4941  1.0
]