data_[Mn6Co6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9913]
_cell_length_b [2.4583]
_cell_length_c [5.8477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnCo]
_chemical_formula_sum '[Mn6 Co6]'
_cell_volume [125.4237]
_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
[
  Mn  Mn0  2  0.0534  0.0000  0.6122  1.0
  Mn  Mn1  2  0.1671  0.5000  0.3307  1.0
  Mn  Mn2  2  0.2238  0.5000  0.9461  1.0
  Co  Co3  2  0.0027  0.0000  0.0008  1.0
  Co  Co4  2  0.3310  0.0000  0.6647  1.0
  Co  Co5  2  0.3887  0.0000  0.2789  1.0
]