data_Na2SrHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   134.61
_cell_angle_beta   134.61
_cell_angle_gamma   66.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrHf
_chemical_formula_sum   'Na2 Sr1 Hf1'
_cell_volume   130.79
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.47  0.0  0.68  1.0
  Sr  Sr3  1  0.0  0.0  0.36  1.0
  Hf  Hf0  1  0.0  0.47  0.68  1.0

data_Na2SrHf
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.4
_cell_angle_alpha   112.7
_cell_angle_beta   112.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrHf
_chemical_formula_sum   'Na2 Sr1 Hf1'
_cell_volume   130.79
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.68  0.21  0.21  1.0
  Sr  Sr2  1  0.36  0.36  0.36  1.0
  Hf  Hf3  1  0.21  0.68  0.21  1.0

Na Na Sr Hf
Na Na Sr Hf 0 1 - o - 0 3 o - - 0 2 o o o 1 2 o o o 2 3 o o o 