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 [Pmmn]
_cell_length_a [2.4910]
_cell_length_b [12.0573]
_cell_length_c [4.3083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [MnCo]
_chemical_formula_sum '[Mn6 Co6]'
_cell_volume [129.4006]
_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  4  0.0000  0.3385  0.0878  1.0
  Mn  Mn1  2  0.0000  0.0000  0.7440  1.0
  Co  Co2  4  0.0000  0.1676  0.4119  1.0
  Co  Co3  2  0.0000  0.5000  0.7445  1.0
]