data_[Mg2Ti4Co8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.8630]
_cell_length_b [5.8756]
_cell_length_c [10.8289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [MgTi2(CoO2)4]
_chemical_formula_sum '[Mg2 Ti4 Co8 O16]'
_cell_volume [373.0385]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.5069  1
  Ti  Ti1  4  0.2438  0.5000  0.8079  1
  Co  Co2  4  0.0000  0.2570  0.6815  1
  Co  Co3  2  0.0000  0.0000  0.9987  1
  Co  Co4  2  0.0000  0.5000  0.2364  1
  O  O5  4  0.0000  0.2101  0.3566  1
  O  O6  4  0.0000  0.2767  0.8694  1
  O  O7  4  0.2272  0.0000  0.6355  1
  O  O8  4  0.2482  0.5000  0.6369  1
]