data_HfSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   3.44
_cell_angle_alpha   90.87
_cell_angle_beta   90.87
_cell_angle_gamma   105.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiAs2
_chemical_formula_sum   'Hf1 Si1 As2'
_cell_volume   70.89
_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  Hf2  1  0.8  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.36  0.16  0.72  1.0
  As  As1  1  0.36  0.84  0.72  1.0

data_HfSiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   105.51
_cell_angle_beta   90.87
_cell_angle_gamma   90.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiAs2
_chemical_formula_sum   'Hf1 Si1 As2'
_cell_volume   70.89
_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  0.8  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.72  0.36  0.16  1.0
  As  As3  1  0.72  0.36  0.84  1.0

Hf Si As As