data_[Co8Cu7Mo12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1397]
_cell_length_b [10.6572]
_cell_length_c [18.0255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Co8Cu7(MoO4)12]
_chemical_formula_sum '[Co8 Cu7 Mo12 O48]'
_cell_volume [987.3302]
_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
[
  Co  Co0  2  0.2471  0.3227  0.9713  1
  Co  Co1  2  0.2495  0.1751  0.4731  1
  Co  Co2  2  0.7492  0.3224  0.5285  1
  Co  Co3  2  0.7550  0.1742  0.0275  1
  Cu  Cu4  1  0.1117  0.5000  0.2525  1
  Cu  Cu5  1  0.2122  0.5000  0.8177  1
  Cu  Cu6  1  0.2842  0.0000  0.3172  1
  Cu  Cu7  1  0.3932  0.0000  0.7511  1
  Cu  Cu8  1  0.6122  0.5000  0.2475  1
  Cu  Cu9  1  0.7163  0.5000  0.6816  1
  Cu  Cu10  1  0.7827  0.0000  0.1829  1
  Mo  Mo11  2  0.2261  0.2791  0.6562  1
  Mo  Mo12  2  0.2773  0.2218  0.1555  1
  Mo  Mo13  2  0.7192  0.2780  0.8429  1
  Mo  Mo14  2  0.7771  0.2215  0.3448  1
  Mo  Mo15  1  0.2225  0.0000  0.9456  1
  Mo  Mo16  1  0.2758  0.5000  0.4458  1
  Mo  Mo17  1  0.7236  0.0000  0.5553  1
  Mo  Mo18  1  0.7780  0.5000  0.0540  1
  O  O19  2  0.0666  0.1276  0.2108  1
  O  O20  2  0.0696  0.1336  0.3745  1
  O  O21  2  0.0758  0.3626  0.4641  1
  O  O22  2  0.0802  0.2605  0.0723  1
  O  O23  2  0.1643  0.1377  0.7023  1
  O  O24  2  0.3544  0.3641  0.2039  1
  O  O25  2  0.4181  0.2421  0.5720  1
  O  O26  2  0.4216  0.1381  0.9655  1
  O  O27  2  0.4327  0.3680  0.8747  1
  O  O28  2  0.4400  0.3734  0.7119  1
  O  O29  2  0.5657  0.1272  0.2887  1
  O  O30  2  0.5662  0.1337  0.1256  1
  O  O31  2  0.5779  0.3627  0.0358  1
  O  O32  2  0.5813  0.2588  0.4277  1
  O  O33  2  0.6241  0.1397  0.7978  1
  O  O34  2  0.8534  0.3640  0.2969  1
  O  O35  2  0.9164  0.2393  0.9268  1
  O  O36  2  0.9239  0.1383  0.5364  1
  O  O37  2  0.9300  0.3660  0.6262  1
  O  O38  2  0.9379  0.3701  0.7877  1
  O  O39  1  0.0637  0.5000  0.9923  1
  O  O40  1  0.1464  0.0000  0.8518  1
  O  O41  1  0.3579  0.5000  0.3509  1
  O  O42  1  0.4408  0.0000  0.4913  1
  O  O43  1  0.5621  0.5000  0.5077  1
  O  O44  1  0.6288  0.0000  0.6471  1
  O  O45  1  0.8601  0.5000  0.1493  1
  O  O46  1  0.9334  0.0000  0.0071  1
]