data_[K1Rb2Ba1Br4]
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
  Ba  0.8900  2.1500  1.4900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.6089]
_cell_length_b [4.6594]
_cell_length_c [8.6470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KRb2BaBr4]
_chemical_formula_sum '[K1 Rb2 Ba1 Br4]'
_cell_volume [330.2750]
_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
[
  Rb  Rb0  1  0.0000  0.5000  0.5000  1.0
  Rb  Rb1  1  0.5000  0.0000  0.5000  1.0
  K  K2  1  0.5000  0.5000  0.0000  1.0
  Ba  Ba3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  2  0.2489  0.0000  0.7695  1.0
  Br  Br5  2  0.2489  0.5000  0.2404  1.0
]