data_[Hf9Os9C9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6609]
_cell_length_b [5.6609]
_cell_length_c [14.4710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HfOsC]
_chemical_formula_sum '[Hf9 Os9 C9]'
_cell_volume [401.6015]
_cell_formula_units_Z [9]
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  9  0.0039  0.3454  0.9145  1
  Os  Os1  9  0.0002  0.5748  0.0870  1
  C  C2  3  0.0000  0.0000  0.3368  1
  C  C3  3  0.0000  0.0000  0.6681  1
  C  C4  3  0.0000  0.0000  0.8419  1
]