data_HfAs5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   7.51
_cell_angle_alpha   114.46
_cell_angle_beta   114.46
_cell_angle_gamma   36.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAs5
_chemical_formula_sum   'Hf1 As5'
_cell_volume   126.49
_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  Hf5  1  0.85  0.0  0.47  1.0
  As  As0  1  0.39  0.0  0.03  1.0
  As  As1  1  0.1  0.0  0.88  1.0
  As  As2  1  0.57  0.0  0.61  1.0
  As  As3  1  0.52  0.0  0.77  1.0
  As  As4  1  0.19  0.0  0.39  1.0

data_HfAs5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.58
_cell_length_c   7.27
_cell_angle_alpha   70.17
_cell_angle_beta   75.92
_cell_angle_gamma   71.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAs5
_chemical_formula_sum   'Hf1 As5'
_cell_volume   126.49
_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  0.38  0.47  1.0
  As  As1  1  0.0  0.22  0.88  1.0
  As  As2  1  0.0  0.36  0.03  1.0
  As  As3  1  0.0  0.76  0.77  1.0
  As  As4  1  0.0  0.8  0.39  1.0
  As  As5  1  0.0  0.96  0.61  1.0

Hf As As As As As