data_[Li6Tm2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5803]
_cell_length_b [6.6472]
_cell_length_c [12.1327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3TmCl6]
_chemical_formula_sum '[Li6 Tm2 Cl12]'
_cell_volume [445.6392]
_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  0.2546  0.5193  0.2684  1.0
  Li  Li1  2  0.5000  0.0000  0.5000  1.0
  Tm  Tm2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0968  0.6087  0.7329  1.0
  Cl  Cl4  4  0.2544  0.1725  0.5934  1.0
  Cl  Cl5  4  0.3987  0.6800  0.5581  1.0
]