data_[K2Rb1Zr1I8]
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
  Zr  1.3300  1.5500  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9658]
_cell_length_b [10.8372]
_cell_length_c [8.1415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2RbZrI8]
_chemical_formula_sum '[K2 Rb1 Zr1 I8]'
_cell_volume [614.5515]
_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
[
  K  K0  2  0.5000  0.2209  0.5000  1.0
  Rb  Rb1  1  0.0000  0.5000  0.0000  1.0
  Zr  Zr2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2442  0.1932  0.8753  1.0
  I  I4  2  0.2109  0.0000  0.3072  1.0
  I  I5  2  0.2425  0.5000  0.4878  1.0
]