data_[Li2Mg1Co13O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P-1]
_cell_length_a [7.5447]
_cell_length_b [8.1754]
_cell_length_c [8.6540]
_cell_angle_alpha [100.9074]
_cell_angle_beta [104.6657]
_cell_angle_gamma [105.6468]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2MgCo13O28]
_chemical_formula_sum '[Li2 Mg1 Co13 O28]'
_cell_volume [477.8818]
_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
[
  Li  Li0  2  0.4207  0.7842  0.7081  1
  Mg  Mg1  1  0.5000  0.5000  0.5000  1
  Co  Co2  2  0.0718  0.2121  0.7844  1
  Co  Co3  2  0.1376  0.4218  0.5655  1
  Co  Co4  2  0.2116  0.6384  0.3526  1
  Co  Co5  2  0.2808  0.8485  0.1359  1
  Co  Co6  2  0.3571  0.0712  0.9289  1
  Co  Co7  2  0.4277  0.2836  0.7130  1
  Co  Co8  1  0.0000  0.0000  0.0000  1
  O  O9  2  0.0120  0.7787  0.0247  1
  O  O10  2  0.0576  0.4300  0.7577  1
  O  O11  2  0.0877  0.9913  0.8139  1
  O  O12  2  0.1358  0.6509  0.5476  1
  O  O13  2  0.1553  0.2008  0.5966  1
  O  O14  2  0.1993  0.8620  0.3236  1
  O  O15  2  0.2049  0.4175  0.3745  1
  O  O16  2  0.2736  0.0771  0.1176  1
  O  O17  2  0.3001  0.6340  0.1645  1
  O  O18  2  0.3417  0.2890  0.9002  1
  O  O19  2  0.3735  0.8475  0.9472  1
  O  O20  2  0.3975  0.5002  0.6946  1
  O  O21  2  0.4475  0.0618  0.7438  1
  O  O22  2  0.4764  0.7332  0.4687  1
]