data_SrHfAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   7.45
_cell_angle_alpha   31.33
_cell_angle_beta   31.33
_cell_angle_gamma   31.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfAs2
_chemical_formula_sum   'Sr1 Hf1 As2'
_cell_volume   99.13
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.0  0.62  1.0
  As  As0  1  0.0  0.0  0.2  1.0
  As  As1  1  0.0  0.0  0.03  1.0

data_SrHfAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   4.02
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   108.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrHfAs2
_chemical_formula_sum   'Sr2 Hf2 As4'
_cell_volume   198.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  -0.0  0.0  0.38  1.0
  As  As2  2  -0.0  0.0  0.8  1.0
  As  As3  2  -0.0  0.0  0.97  1.0

Sr Hf As As