data_Na2SrHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   137.14
_cell_angle_beta   137.14
_cell_angle_gamma   62.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrHf
_chemical_formula_sum   'Na2 Sr1 Hf1'
_cell_volume   133.47
_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  0.42  0.84  1.0
  Na  Na2  1  0.42  0.0  0.84  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.0  0.68  1.0

data_Na2SrHf
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   121.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2SrHf
_chemical_formula_sum   'Na4 Sr2 Hf2'
_cell_volume   266.94
_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
  Na  Na0  4  0.29  0.29  0.42  1.0
  Sr  Sr1  2  0.0  0.0  0.0  1.0
  Hf  Hf2  2  0.0  0.0  0.68  1.0

Na Na Sr Hf