data_[Hf4Si4Ru4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4978]
_cell_length_b [3.8507]
_cell_length_c [6.4875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.0645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Si2Ru2C]
_chemical_formula_sum '[Hf4 Si4 Ru4 C2]'
_cell_volume [209.2628]
_cell_formula_units_Z [2]
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  4  0.0626  0.5000  0.2919  1
  Si  Si1  4  0.1417  0.0000  0.6716  1
  Ru  Ru2  4  0.2154  0.0000  0.1202  1
  C  C3  2  0.0000  0.0000  0.0000  1
]