data_[Mg6Co6]
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
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2684]
_cell_length_b [8.7384]
_cell_length_c [4.7517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [MgCo]
_chemical_formula_sum '[Mg6 Co6]'
_cell_volume [177.2347]
_cell_formula_units_Z [6]
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  0.0996  0.4233  1
  Mg  Mg1  2  0.0000  0.4137  0.5382  1
  Mg  Mg2  2  0.5000  0.1317  0.8444  1
  Co  Co3  2  0.0000  0.2849  0.0219  1
  Co  Co4  2  0.5000  0.2971  0.3036  1
  Co  Co5  2  0.5000  0.4310  0.8698  1
]