data_[K2Mo4C8O22]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7218]
_cell_length_b [8.5306]
_cell_length_c [8.9441]
_cell_angle_alpha [93.9083]
_cell_angle_beta [91.9872]
_cell_angle_gamma [95.9511]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMo2C4O11]
_chemical_formula_sum '[K2 Mo4 C8 O22]'
_cell_volume [584.1071]
_cell_formula_units_Z [2]
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  0.1987  0.9272  0.6722  1
  Mo  Mo1  2  0.2970  0.2500  0.3222  1
  Mo  Mo2  2  0.4789  0.6397  0.3803  1
  C  C3  2  0.0172  0.4937  0.2481  1
  C  C4  2  0.0355  0.2820  0.8202  1
  C  C5  2  0.0917  0.6557  0.2847  1
  C  C6  2  0.1217  0.4560  0.8531  1
  O  O7  2  0.0458  0.3582  0.2816  1
  O  O8  2  0.0619  0.1558  0.8646  1
  O  O9  2  0.1578  0.1355  0.4336  1
  O  O10  2  0.2144  0.7234  0.3696  1
  O  O11  2  0.2454  0.5196  0.9284  1
  O  O12  2  0.3018  0.1393  0.1543  1
  O  O13  2  0.3347  0.4482  0.5455  1
  O  O14  2  0.3710  0.8422  0.9532  1
  O  O15  2  0.3775  0.4715  0.2547  1
  O  O16  2  0.4335  0.2237  0.7368  1
  O  O17  2  0.4822  0.7677  0.5811  1
]