data_[Zn12Mo24O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3171]
_cell_length_b [6.3194]
_cell_length_c [15.1000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn(MoO2)2]
_chemical_formula_sum '[Zn12 Mo24 O48]'
_cell_volume [1079.3917]
_cell_formula_units_Z [12]
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
[
  Zn  Zn0  2  0.0038  0.5000  0.3786  1
  Zn  Zn1  2  0.0092  0.5000  0.6183  1
  Zn  Zn2  2  0.1606  0.0000  0.2913  1
  Zn  Zn3  2  0.1735  0.0000  0.6627  1
  Zn  Zn4  2  0.3300  0.5000  0.9553  1
  Zn  Zn5  2  0.4925  0.0000  0.9968  1
  Mo  Mo6  4  0.0834  0.2516  0.8341  1
  Mo  Mo7  4  0.2582  0.2502  0.4991  1
  Mo  Mo8  4  0.4071  0.2514  0.1696  1
  Mo  Mo9  2  0.0115  0.0000  0.4997  1
  Mo  Mo10  2  0.1551  0.5000  0.1662  1
  Mo  Mo11  2  0.1622  0.0000  0.0474  1
  Mo  Mo12  2  0.3316  0.5000  0.3335  1
  Mo  Mo13  2  0.3352  0.0000  0.8317  1
  Mo  Mo14  2  0.3414  0.5000  0.7142  1
  O  O15  4  0.0609  0.2549  0.0913  1
  O  O16  4  0.1013  0.2400  0.5780  1
  O  O17  4  0.2393  0.2456  0.7572  1
  O  O18  4  0.2462  0.2627  0.2469  1
  O  O19  4  0.4163  0.2642  0.4183  1
  O  O20  4  0.4222  0.2430  0.9106  1
  O  O21  2  0.0230  0.0000  0.7447  1
  O  O22  2  0.1517  0.5000  0.9199  1
  O  O23  2  0.1716  0.0000  0.4240  1
  O  O24  2  0.1769  0.0000  0.9086  1
  O  O25  2  0.1781  0.5000  0.4173  1
  O  O26  2  0.3195  0.5000  0.0920  1
  O  O27  2  0.3320  0.0000  0.5823  1
  O  O28  2  0.3437  0.0000  0.0805  1
  O  O29  2  0.3512  0.5000  0.5745  1
  O  O30  2  0.4867  0.5000  0.2503  1
  O  O31  2  0.4956  0.0000  0.2431  1
  O  O32  2  0.4977  0.0000  0.7568  1
]