data_[Mg12Co24O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1055]
_cell_length_b [5.8196]
_cell_length_c [14.2455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg(CoO2)2]
_chemical_formula_sum '[Mg12 Co24 O48]'
_cell_volume [837.7719]
_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
[
  Mg  Mg0  2  0.0058  0.0000  0.5009  1
  Mg  Mg1  2  0.1635  0.0000  0.9596  1
  Mg  Mg2  2  0.1685  0.5000  0.8346  1
  Mg  Mg3  2  0.1728  0.0000  0.3339  1
  Mg  Mg4  2  0.3385  0.5000  0.6691  1
  Mg  Mg5  2  0.3393  0.0000  0.1661  1
  Co  Co6  4  0.0886  0.2526  0.1665  1
  Co  Co7  4  0.2550  0.2437  0.5012  1
  Co  Co8  4  0.4212  0.2506  0.8342  1
  Co  Co9  2  0.0038  0.5000  0.9982  1
  Co  Co10  2  0.0099  0.5000  0.3780  1
  Co  Co11  2  0.1783  0.0000  0.7120  1
  Co  Co12  2  0.3336  0.5000  0.2898  1
  Co  Co13  2  0.3419  0.5000  0.0413  1
  Co  Co14  2  0.4995  0.0000  0.6215  1
  O  O15  4  0.0717  0.2728  0.9152  1
  O  O16  4  0.0989  0.2487  0.4223  1
  O  O17  4  0.2452  0.2480  0.2442  1
  O  O18  4  0.2642  0.2526  0.7580  1
  O  O19  4  0.4103  0.2531  0.5790  1
  O  O20  4  0.4356  0.2392  0.0822  1
  O  O21  2  0.0122  0.0000  0.2418  1
  O  O22  2  0.0125  0.5000  0.2421  1
  O  O23  2  0.1570  0.5000  0.0851  1
  O  O24  2  0.1639  0.0000  0.0973  1
  O  O25  2  0.1799  0.5000  0.5757  1
  O  O26  2  0.1815  0.0000  0.5760  1
  O  O27  2  0.3299  0.5000  0.4245  1
  O  O28  2  0.3312  0.0000  0.4263  1
  O  O29  2  0.3485  0.5000  0.9088  1
  O  O30  2  0.3544  0.0000  0.9126  1
  O  O31  2  0.4939  0.0000  0.7571  1
  O  O32  2  0.4992  0.5000  0.7601  1
]