data_[Mg4Co8O12]
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 [C2/m]
_cell_length_a [5.2429]
_cell_length_b [9.0972]
_cell_length_c [5.2402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCo2O3]
_chemical_formula_sum '[Mg4 Co8 O12]'
_cell_volume [235.9148]
_cell_formula_units_Z [4]
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  4  0.0000  0.3324  0.0000  1
  Co  Co1  4  0.0000  0.1644  0.5000  1
  Co  Co2  2  0.0000  0.0000  0.0000  1
  Co  Co3  2  0.0000  0.5000  0.5000  1
  O  O4  8  0.2486  0.8317  0.2458  1
  O  O5  4  0.2434  0.5000  0.2450  1
]