data_HfNbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   143.83
_cell_angle_beta   131.63
_cell_angle_gamma   61.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbAs2
_chemical_formula_sum   'Hf1 Nb1 As2'
_cell_volume   73.33
_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  Hf2  1  0.71  0.0  0.67  1.0
  Nb  Nb3  1  0.0  0.0  0.25  1.0
  As  As0  1  0.0  0.26  0.54  1.0
  As  As1  1  0.0  0.0  0.48  1.0

data_HfNbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.52
_cell_length_c   5.52
_cell_angle_alpha   114.18
_cell_angle_beta   108.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbAs2
_chemical_formula_sum   'Hf1 Nb1 As2'
_cell_volume   73.33
_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  0.0  0.67  0.96  1.0
  Nb  Nb1  1  0.0  0.25  0.25  1.0
  As  As2  1  0.0  0.48  0.48  1.0
  As  As3  1  0.74  0.28  0.28  1.0

Hf Nb As As