data_HfAl2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   134.68
_cell_angle_beta   132.87
_cell_angle_gamma   67.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2As
_chemical_formula_sum   'Hf1 Al2 As1'
_cell_volume   70.86
_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  Hf3  1  0.0  0.07  0.14  1.0
  Al  Al0  1  0.0  0.0  0.01  1.0
  Al  Al1  1  0.99  0.0  0.15  1.0
  As  As2  1  0.0  0.0  0.3  1.0

data_HfAl2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.13
_cell_length_c   5.17
_cell_angle_alpha   113.56
_cell_angle_beta   112.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2As
_chemical_formula_sum   'Hf1 Al2 As1'
_cell_volume   70.86
_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  0.86  0.93  0.93  1.0
  Al  Al1  1  0.84  0.85  0.84  1.0
  Al  Al2  1  0.99  0.99  0.99  1.0
  As  As3  1  0.7  0.7  0.7  1.0

Hf Al Al As