data_[Hf8Mn16Fe12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6898]
_cell_length_b [5.0112]
_cell_length_c [12.7762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Mn4(FeC)3]
_chemical_formula_sum '[Hf8 Mn16 Fe12 C12]'
_cell_volume [541.3833]
_cell_formula_units_Z [4]
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
[
  Hf  Hf0  8  0.0406  0.4174  0.8784  1
  Mn  Mn1  8  0.1085  0.0932  0.0781  1
  Mn  Mn2  8  0.2287  0.0803  0.4220  1
  Fe  Fe3  8  0.2495  0.3349  0.2508  1
  Fe  Fe4  4  0.0000  0.0831  0.2500  1
  C  C5  8  0.0866  0.2406  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]