data_[Mn6Al12C15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2478]
_cell_length_b [3.2478]
_cell_length_c [37.9822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn2Al4C5]
_chemical_formula_sum '[Mn6 Al12 C15]'
_cell_volume [346.9732]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3597  1
  Al  Al1  6  0.0000  0.0000  0.0817  1
  Al  Al2  6  0.0000  0.0000  0.1914  1
  C  C3  6  0.0000  0.0000  0.1326  1
  C  C4  6  0.0000  0.0000  0.2739  1
  C  C5  3  0.0000  0.0000  0.0000  1
]