data_HfNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   5.98
_cell_angle_alpha   106.78
_cell_angle_beta   106.78
_cell_angle_gamma   58.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiAs2
_chemical_formula_sum   'Hf1 Ni1 As2'
_cell_volume   69.4
_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  0.34  0.0  0.82  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.17  0.0  0.42  1.0
  As  As1  1  0.51  0.0  0.22  1.0

data_HfNiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.81
_cell_length_c   5.98
_cell_angle_alpha   106.78
_cell_angle_beta   90.0
_cell_angle_gamma   119.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiAs2
_chemical_formula_sum   'Hf1 Ni1 As2'
_cell_volume   69.4
_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  0.66  0.18  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.49  0.78  1.0
  As  As3  1  0.0  0.83  0.58  1.0

Hf Ni As As