data_[Hf12P4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8060]
_cell_length_b [6.5533]
_cell_length_c [10.0834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6P2C]
_chemical_formula_sum '[Hf12 P4 C2]'
_cell_volume [319.3406]
_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  0.1098  0.1761  0.4484  1.0
  Hf  Hf1  4  0.2970  0.6887  0.4460  1.0
  Hf  Hf2  4  0.3979  0.0259  0.2504  1.0
  P  P3  4  0.1825  0.1221  0.7449  1.0
  C  C4  2  0.5000  0.0000  0.5000  1.0
]