data_Sr2HfNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   146.46
_cell_angle_beta   138.42
_cell_angle_gamma   54.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfNb
_chemical_formula_sum   'Sr2 Hf1 Nb1'
_cell_volume   119.06
_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  Sr2  1  0.99  0.0  0.61  1.0
  Sr  Sr3  1  0.0  0.45  0.52  1.0
  Hf  Hf0  1  0.0  0.0  0.12  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0

data_Sr2HfNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.89
_cell_length_c   6.89
_cell_angle_alpha   110.79
_cell_angle_beta   106.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfNb
_chemical_formula_sum   'Sr2 Hf1 Nb1'
_cell_volume   119.06
_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  0.38  0.39  0.38  1.0
  Sr  Sr1  1  0.48  0.93  0.93  1.0
  Hf  Hf2  1  0.88  0.88  0.88  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

Sr Sr Hf Nb