data_HfSi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2As
_chemical_formula_sum   'Hf1 Si2 As1'
_cell_volume   72.45
_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  Hf1  1  0.88  0.0  0.86  1.0
  Si  Si2  1  0.0  0.0  0.91  1.0
  Si  Si3  1  0.88  0.0  0.32  1.0
  As  As0  1  0.0  0.0  0.85  1.0

data_HfSi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2As
_chemical_formula_sum   'Hf1 Si2 As1'
_cell_volume   72.45
_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  0.88  0.0  0.86  1.0
  Si  Si1  1  0.0  0.0  0.91  1.0
  Si  Si2  1  0.88  0.0  0.32  1.0
  As  As3  1  0.0  0.0  0.85  1.0

Hf Si Si As