data_HfNb2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   148.15
_cell_angle_beta   130.02
_cell_angle_gamma   60.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2C
_chemical_formula_sum   'Hf1 Nb2 C1'
_cell_volume   65.32
_cell_formula_units_Z   1
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  Hf1  1  0.0  0.31  0.62  1.0
  Nb  Nb2  1  0.0  0.0  0.4  1.0
  Nb  Nb3  1  0.5  0.0  0.16  1.0
  C  C0  1  0.0  0.0  0.7  1.0

data_HfNb2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.62
_cell_length_c   5.46
_cell_angle_alpha   114.99
_cell_angle_beta   105.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2C
_chemical_formula_sum   'Hf1 Nb2 C1'
_cell_volume   65.32
_cell_formula_units_Z   1
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  1  0.69  0.31  0.31  1.0
  Nb  Nb1  1  0.0  0.16  0.66  1.0
  Nb  Nb2  1  0.0  0.4  0.4  1.0
  C  C3  1  0.0  0.7  0.7  1.0

Hf Nb Nb C