data_Hf2NbC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   134.37
_cell_angle_beta   134.37
_cell_angle_gamma   66.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbC
_chemical_formula_sum   'Hf2 Nb1 C1'
_cell_volume   66.17
_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  0.97  0.0  0.13  1.0
  Hf  Hf2  1  0.0  0.97  0.13  1.0
  Nb  Nb3  1  0.0  0.0  0.25  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Hf2NbC
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   123.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2NbC
_chemical_formula_sum   'Hf4 Nb2 C2'
_cell_volume   132.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.36  0.49  0.85  1.0
  Nb  Nb1  2  0.25  0.5  0.75  1.0
  C  C2  2  0.0  0.0  0.0  1.0

Hf Hf Nb C
Hf Hf Nb C 0 1 + - o 0 2 + o o 0 3 + o o 1 2 o + o 1 3 o + o 