data_Na2YHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   3.15
_cell_angle_alpha   101.13
_cell_angle_beta   101.13
_cell_angle_gamma   125.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YHf
_chemical_formula_sum   'Na2 Y1 Hf1'
_cell_volume   113.59
_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  0.92  0.87  0.43  1.0
  Na  Na2  1  0.92  0.13  0.43  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.19  0.0  0.0  1.0

data_Na2YHf
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.79
_cell_length_c   7.02
_cell_angle_alpha   113.27
_cell_angle_beta   101.13
_cell_angle_gamma   94.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YHf
_chemical_formula_sum   'Na2 Y1 Hf1'
_cell_volume   113.59
_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  0.3  0.87  0.8  1.0
  Na  Na1  1  0.55  0.13  0.05  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Hf  Hf3  1  -0.0  0.0  0.19  1.0

Na Na Y Hf