data_[K4Li2Tm2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/c]
_cell_length_a [8.1219]
_cell_length_b [8.5179]
_cell_length_c [14.0924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2LiTmI6]
_chemical_formula_sum '[K4 Li2 Tm2 I12]'
_cell_volume [800.6065]
_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
[
  K  K0  4  0.2798  0.5820  0.7521  1.0
  Li  Li1  2  0.5000  0.0000  0.0000  1.0
  Tm  Tm2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1515  0.5172  0.2509  1.0
  I  I4  4  0.2373  0.2022  0.0475  1.0
  I  I5  4  0.3517  0.6943  0.0496  1.0
]