data_[K10Mo12I2O58]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6165]
_cell_length_b [10.3001]
_cell_length_c [17.9269]
_cell_angle_alpha [83.0106]
_cell_angle_beta [84.2614]
_cell_angle_gamma [87.6238]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K5Mo6IO29]
_chemical_formula_sum '[K10 Mo12 I2 O58]'
_cell_volume [1388.3082]
_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  0.1617  0.6441  0.3919  1
  K  K1  2  0.1692  0.5198  0.1464  1
  K  K2  2  0.2147  0.2084  0.0008  1
  K  K3  2  0.3132  0.2450  0.4788  1
  K  K4  2  0.3783  0.9620  0.2112  1
  Mo  Mo5  2  0.1303  0.0569  0.6936  1
  Mo  Mo6  2  0.1784  0.9437  0.8776  1
  Mo  Mo7  2  0.1800  0.8525  0.5629  1
  Mo  Mo8  2  0.3050  0.5332  0.6125  1
  Mo  Mo9  2  0.3124  0.6322  0.9252  1
  Mo  Mo10  2  0.3556  0.4241  0.7928  1
  I  I11  2  0.2382  0.7387  0.7455  1
  O  O12  2  0.0200  0.9769  0.0925  1
  O  O13  2  0.0241  0.9614  0.6227  1
  O  O14  2  0.0304  0.7949  0.5076  1
  O  O15  2  0.0532  0.8598  0.7784  1
  O  O16  2  0.0625  0.8526  0.2816  1
  O  O17  2  0.1041  0.6859  0.6689  1
  O  O18  2  0.1298  0.7733  0.9331  1
  O  O19  2  0.1558  0.6002  0.8199  1
  O  O20  2  0.1593  0.4780  0.5540  1
  O  O21  2  0.1843  0.3648  0.2911  1
  O  O22  2  0.2029  0.5139  0.9891  1
  O  O23  2  0.2182  0.3234  0.8563  1
  O  O24  2  0.2185  0.2435  0.2016  1
  O  O25  2  0.2266  0.4234  0.7049  1
  O  O26  2  0.2514  0.0539  0.7832  1
  O  O27  2  0.2518  0.7973  0.1072  1
  O  O28  2  0.2643  0.1639  0.6314  1
  O  O29  2  0.2760  0.1752  0.3102  1
  O  O30  2  0.3012  0.9698  0.5040  1
  O  O31  2  0.3202  0.8784  0.6720  1
  O  O32  2  0.3432  0.9971  0.9267  1
  O  O33  2  0.3516  0.7063  0.5597  1
  O  O34  2  0.3712  0.7944  0.8202  1
  O  O35  2  0.4193  0.8657  0.3692  1
  O  O36  2  0.4201  0.6199  0.7127  1
  O  O37  2  0.4528  0.6685  0.2315  1
  O  O38  2  0.4625  0.5212  0.8639  1
  O  O39  2  0.4734  0.6923  0.9732  1
  O  O40  2  0.4886  0.5374  0.4114  1
]