data_SrHf2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   6.47
_cell_angle_alpha   98.06
_cell_angle_beta   98.06
_cell_angle_gamma   33.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Mg
_chemical_formula_sum   'Sr1 Hf2 Mg1'
_cell_volume   109.62
_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  0.72  0.0  0.66  1.0
  Hf  Hf0  1  0.58  0.0  0.94  1.0
  Hf  Hf1  1  0.94  0.0  1.0  1.0
  Mg  Mg2  1  0.91  0.0  0.41  1.0

data_SrHf2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.54
_cell_length_c   6.47
_cell_angle_alpha   98.06
_cell_angle_beta   90.0
_cell_angle_gamma   106.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Mg
_chemical_formula_sum   'Sr1 Hf2 Mg1'
_cell_volume   109.62
_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  Sr0  1  0.0  0.28  0.34  1.0
  Hf  Hf1  1  0.0  0.06  0.0  1.0
  Hf  Hf2  1  0.0  0.42  0.06  1.0
  Mg  Mg3  1  0.0  0.09  0.59  1.0

Sr Hf Hf Mg