data_[Mn24C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.3143]
_cell_length_b [8.3143]
_cell_length_c [4.1865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Mn3C]
_chemical_formula_sum '[Mn24 C8]'
_cell_volume [289.3983]
_cell_formula_units_Z [8]
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  0.0000  0.3563  0.0000  1.0
  Mn  Mn1  8  0.0986  0.0986  0.2287  1.0
  Mn  Mn2  8  0.1978  0.1978  0.7030  1.0
  C  C3  8  0.0000  0.2924  0.5000  1.0
]