data_[Hf10Ta2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0597]
_cell_length_b [3.2754]
_cell_length_c [6.5185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5TaC4]
_chemical_formula_sum '[Hf10 Ta2 C8]'
_cell_volume [291.3378]
_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  0.1644  0.0000  0.3215  1.0
  Hf  Hf1  4  0.1650  0.0000  0.8473  1.0
  Hf  Hf2  2  0.0000  0.5000  0.5000  1.0
  Ta  Ta3  2  0.0000  0.5000  0.0000  1.0
  C  C4  4  0.0017  0.0000  0.2468  1.0
  C  C5  4  0.1667  0.5000  0.0874  1.0
]