data_HfSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSbAs2
_chemical_formula_sum   'Hf1 Sb1 As2'
_cell_volume   82.21
_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  0.06  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.53  0.88  0.78  1.0
  As  As1  1  0.53  0.12  0.78  1.0

data_HfSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   101.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSbAs2
_chemical_formula_sum   'Hf1 Sb1 As2'
_cell_volume   82.21
_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  0.06  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.78  0.53  0.12  1.0
  As  As3  1  0.78  0.53  0.88  1.0

Hf Sb As As
Hf Sb As As 0 1 o o o 2 3 o + o 