data_[Li4Tm2I10]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0390]
_cell_length_b [9.0592]
_cell_length_c [7.4826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2TmI5]
_chemical_formula_sum '[Li4 Tm2 I10]'
_cell_volume [765.2652]
_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  0.2033  0.2132  0.7686  1
  Tm  Tm1  2  0.4715  0.5000  0.9837  1
  I  I2  4  0.4118  0.2322  0.7449  1
  I  I3  2  0.0689  0.0000  0.4346  1
  I  I4  2  0.2230  0.0000  0.0614  1
  I  I5  2  0.2293  0.5000  0.9395  1
]