data_[K8Mo8Cl32O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8823]
_cell_length_b [9.2999]
_cell_length_c [23.9006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KMoCl4O]
_chemical_formula_sum '[K8 Mo8 Cl32 O8]'
_cell_volume [1527.2231]
_cell_formula_units_Z [8]
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  4  0.1908  0.2171  0.0341  1
  K  K1  4  0.2469  0.0151  0.2632  1
  Mo  Mo2  4  0.2257  0.6126  0.1213  1
  Mo  Mo3  4  0.2754  0.0182  0.8641  1
  Cl  Cl4  4  0.0471  0.6695  0.3405  1
  Cl  Cl5  4  0.1267  0.6443  0.5974  1
  Cl  Cl6  4  0.1558  0.1415  0.7816  1
  Cl  Cl7  4  0.2383  0.5701  0.0235  1
  Cl  Cl8  4  0.2704  0.5706  0.4580  1
  Cl  Cl9  4  0.3492  0.6981  0.2107  1
  Cl  Cl10  4  0.3674  0.2466  0.9054  1
  Cl  Cl11  4  0.4398  0.0894  0.6341  1
  O  O12  4  0.0095  0.5400  0.1372  1
  O  O13  4  0.4912  0.5464  0.3432  1
]