data_[K4Tl2Mo2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.6225]
_cell_length_b [11.4710]
_cell_length_c [8.9848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K2TlMoBr6]
_chemical_formula_sum '[K4 Tl2 Mo2 Br12]'
_cell_volume [785.6118]
_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  0.0000  0.3048  0.1696  1.0
  Tl  Tl1  2  0.0000  0.5000  0.6836  1.0
  Mo  Mo2  2  0.0000  0.0000  0.8081  1.0
  Br  Br3  4  0.0000  0.2287  0.8078  1.0
  Br  Br4  4  0.2372  0.0000  0.0208  1.0
  Br  Br5  4  0.2493  0.0000  0.6089  1.0
]