data_[K2Tm2Ag2Br12]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.5720]
_cell_length_b [11.9385]
_cell_length_c [7.3428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KTmAgBr6]
_chemical_formula_sum '[K2 Tm2 Ag2 Br12]'
_cell_volume [661.6879]
_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  2  0.0000  0.0101  0.5000  1.0
  Tm  Tm1  2  0.0000  0.6786  0.0000  1.0
  Ag  Ag2  2  0.0000  0.3333  0.0000  1.0
  Br  Br3  4  0.1158  0.4964  0.2235  1.0
  Br  Br4  4  0.1733  0.8121  0.2503  1.0
  Br  Br5  4  0.1898  0.1793  0.1893  1.0
]