data_[K1Rb3I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.3888]
_cell_length_b [7.3870]
_cell_length_c [7.3890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KRb3I4]
_chemical_formula_sum '[K1 Rb3 I4]'
_cell_volume [403.3040]
_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  0.2422  0.0000  0.4943  1
  Rb  Rb1  1  0.2578  0.5000  0.9943  1
  K  K2  1  0.7423  0.0000  0.0056  1
  Rb  Rb3  1  0.7578  0.5000  0.5057  1
  I  I4  1  0.2424  0.0000  0.9943  1
  I  I5  1  0.2577  0.5000  0.4942  1
  I  I6  1  0.7423  0.0000  0.5057  1
  I  I7  1  0.7576  0.5000  0.0058  1
]