data_[Hf2Zr10C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4735]
_cell_length_b [3.3372]
_cell_length_c [6.6796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZr5C4]
_chemical_formula_sum '[Hf2 Zr10 C8]'
_cell_volume [313.0286]
_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  2  0.0000  0.5000  0.0000  1.0
  Zr  Zr1  4  0.1614  0.0000  0.3199  1.0
  Zr  Zr2  4  0.1647  0.0000  0.8493  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  C  C4  4  0.0014  0.0000  0.2497  1.0
  C  C5  4  0.1677  0.5000  0.0897  1.0
]