data_Hf2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2As
_chemical_formula_sum   'Hf4 As2'
_cell_volume   116.27
_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  Hf2  1  0.79  0.09  0.55  1.0
  Hf  Hf3  1  0.79  0.37  0.55  1.0
  Hf  Hf4  1  0.79  0.63  0.18  1.0
  Hf  Hf5  1  0.79  0.91  0.18  1.0
  As  As0  1  0.79  0.69  0.55  1.0
  As  As1  1  0.79  0.31  0.18  1.0

data_Hf2As
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.58
_cell_length_b   4.73
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   104.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf2As
_chemical_formula_sum   'Hf4 As2'
_cell_volume   116.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.09  0.32  0.09  1.0
  Hf  Hf1  2  0.37  0.32  0.37  1.0
  As  As2  2  0.31  0.68  0.31  1.0

Hf Hf Hf Hf As As