data_[Hf8Mn16Si12C12]
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
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8299]
_cell_length_b [5.0763]
_cell_length_c [12.4441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Mn4(SiC)3]
_chemical_formula_sum '[Hf8 Mn16 Si12 C12]'
_cell_volume [542.4905]
_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  0.0444  0.4170  0.3819  1
  Mn  Mn1  8  0.1102  0.0868  0.5816  1
  Mn  Mn2  8  0.2262  0.0827  0.9185  1
  Si  Si3  8  0.2395  0.3453  0.7496  1
  Si  Si4  4  0.0000  0.0645  0.7500  1
  C  C5  8  0.0856  0.2422  0.9997  1
  C  C6  4  0.2500  0.2500  0.5000  1
]