data_[K2Rb1Mo1I8]
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
  Mo  2.1600  1.4500  0.7750
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7176]
_cell_length_b [7.8993]
_cell_length_c [10.1551]
_cell_angle_alpha [89.8512]
_cell_angle_beta [72.7499]
_cell_angle_gamma [88.7045]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2RbMoI8]
_chemical_formula_sum '[K2 Rb1 Mo1 I8]'
_cell_volume [514.5015]
_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  0.3174  0.4831  0.8208  1.0
  Rb  Rb1  1  0.0000  0.0000  0.5000  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.1738  0.2386  0.1301  1.0
  I  I4  2  0.1873  0.7503  0.1192  1.0
  I  I5  2  0.2508  0.5004  0.4933  1.0
  I  I6  2  0.3450  0.0045  0.7654  1.0
]