data_[K4Li2Tm2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9882]
_cell_length_b [5.9760]
_cell_length_c [10.3672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2LiTmF6]
_chemical_formula_sum '[K4 Li2 Tm2 F12]'
_cell_volume [303.0299]
_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  0.2485  0.0075  0.2495  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Tm  Tm2  2  0.5000  0.0000  0.0000  1
  F  F3  4  0.2136  0.2338  0.9832  1
  F  F4  4  0.2496  0.7301  0.9833  1
  F  F5  4  0.2815  0.0030  0.7484  1
]