data_[K2Rb4Ti2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.7042]
_cell_length_b [11.5274]
_cell_length_c [8.7591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [KRb2TiBr6]
_chemical_formula_sum '[K2 Rb4 Ti2 Br12]'
_cell_volume [777.8951]
_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
[
  Rb  Rb0  4  0.0000  0.2861  0.1888  1.0
  K  K1  2  0.0000  0.5000  0.7011  1.0
  Ti  Ti2  2  0.0000  0.0000  0.7917  1.0
  Br  Br3  4  0.0000  0.2274  0.7911  1.0
  Br  Br4  4  0.2324  0.0000  0.0097  1.0
  Br  Br5  4  0.2418  0.0000  0.5876  1.0
]