data_HfNb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   4.73
_cell_angle_alpha   103.81
_cell_angle_beta   103.81
_cell_angle_gamma   38.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2As
_chemical_formula_sum   'Hf1 Nb2 As1'
_cell_volume   73.3
_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  0.22  0.0  0.29  1.0
  Nb  Nb2  1  0.61  0.0  0.55  1.0
  Nb  Nb3  1  0.83  0.0  0.02  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_HfNb2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.73
_cell_length_c   5.1
_cell_angle_alpha   103.81
_cell_angle_beta   109.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2As
_chemical_formula_sum   'Hf1 Nb2 As1'
_cell_volume   73.3
_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  0.29  0.22  1.0
  Nb  Nb1  1  0.0  0.02  0.83  1.0
  Nb  Nb2  1  0.0  0.55  0.61  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Hf Nb Nb As