data_[K2Rb1Ba1I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.0637]
_cell_length_b [4.8574]
_cell_length_c [9.0716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2RbBaI4]
_chemical_formula_sum '[K2 Rb1 Ba1 I4]'
_cell_volume [381.3084]
_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  0.0000  0.0000  1.0
  K  K1  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  0.5000  0.5000  1.0
  I  I4  2  0.2532  0.5000  0.2626  1.0
  I  I5  2  0.2550  0.0000  0.7477  1.0
]