data_[Hf16Zn12Mo8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5873]
_cell_length_b [5.5468]
_cell_length_c [13.9974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Zn3Mo2C3]
_chemical_formula_sum '[Hf16 Zn12 Mo8 C12]'
_cell_volume [724.6519]
_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  0.1159  0.0777  0.5974  1
  Hf  Hf1  8  0.2147  0.0866  0.9025  1
  Zn  Zn2  8  0.1354  0.4469  0.7485  1
  Zn  Zn3  4  0.0000  0.1471  0.2500  1
  Mo  Mo4  8  0.0617  0.4138  0.4253  1
  C  C5  8  0.0837  0.2485  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]