data_[Hf8Mn16Bi12C12]
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
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4548]
_cell_length_b [5.4415]
_cell_length_c [15.4651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Mn4(BiC)3]
_chemical_formula_sum '[Hf8 Mn16 Bi12 C12]'
_cell_volume [787.3505]
_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  0.1492  0.1712  0.4133  1
  Mn  Mn1  8  0.0247  0.3339  0.5633  1
  Mn  Mn2  8  0.1721  0.1639  0.0478  1
  Bi  Bi3  8  0.1537  0.3469  0.2053  1
  Bi  Bi4  4  0.0000  0.1649  0.7500  1
  C  C5  8  0.1638  0.4904  0.9947  1
  C  C6  4  0.0000  0.0000  0.0000  1
]