data_Hf2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   6.47
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2As
_chemical_formula_sum   'Hf4 As2'
_cell_volume   133.31
_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  0.23  0.18  0.0  1.0
  Hf  Hf3  1  0.54  0.29  0.0  1.0
  Hf  Hf4  1  0.12  0.53  0.79  1.0
  Hf  Hf5  1  0.65  0.94  0.79  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.88  0.23  0.79  1.0

data_Hf2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.77
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2As
_chemical_formula_sum   'Hf4 As2'
_cell_volume   133.31
_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  Hf0  1  0.0  0.23  0.18  1.0
  Hf  Hf1  1  0.0  0.54  0.29  1.0
  Hf  Hf2  1  0.79  0.12  0.53  1.0
  Hf  Hf3  1  0.79  0.65  0.94  1.0
  As  As4  1  0.0  0.0  0.0  1.0
  As  As5  1  0.79  0.88  0.23  1.0

Hf Hf Hf Hf As As