data_[K2Tm1H1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7061]
_cell_length_b [7.7569]
_cell_length_c [7.9305]
_cell_angle_alpha [107.6876]
_cell_angle_beta [115.6959]
_cell_angle_gamma [103.8617]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2TmHBr6]
_chemical_formula_sum '[K2 Tm1 H1 Br6]'
_cell_volume [366.9426]
_cell_formula_units_Z [1]
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  2  0.1962  0.3884  0.6991  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  H  H2  1  0.5000  0.0000  0.5000  1.0
  Br  Br3  2  0.1765  0.8223  0.8094  1.0
  Br  Br4  2  0.2514  0.9961  0.3988  1.0
  Br  Br5  2  0.2993  0.3720  0.1390  1.0
]