data_[Mn24Co12C12]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5242]
_cell_length_b [4.9107]
_cell_length_c [12.4547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2CoC]
_chemical_formula_sum '[Mn24 Co12 C12]'
_cell_volume [507.2543]
_cell_formula_units_Z [12]
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  8  0.0446  0.4174  0.3897  1
  Mn  Mn1  8  0.1098  0.0884  0.5821  1
  Mn  Mn2  8  0.2257  0.0827  0.9179  1
  Co  Co3  8  0.2483  0.1682  0.2505  1
  Co  Co4  4  0.0000  0.0881  0.7500  1
  C  C5  8  0.0814  0.2559  0.9998  1
  C  C6  4  0.2500  0.2500  0.5000  1
]