data_NaHf2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.01
_cell_angle_alpha   99.59
_cell_angle_beta   99.59
_cell_angle_gamma   32.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Mg
_chemical_formula_sum   'Na1 Hf2 Mg1'
_cell_volume   95.08
_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  Na3  1  0.86  0.0  0.37  1.0
  Hf  Hf0  1  0.07  0.0  0.24  1.0
  Hf  Hf1  1  0.63  0.0  0.33  1.0
  Mg  Mg2  1  0.73  0.0  0.94  1.0

data_NaHf2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.5
_cell_length_c   6.01
_cell_angle_alpha   99.59
_cell_angle_beta   90.0
_cell_angle_gamma   106.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Mg
_chemical_formula_sum   'Na1 Hf2 Mg1'
_cell_volume   95.08
_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  0.14  0.63  1.0
  Hf  Hf1  1  0.0  0.37  0.67  1.0
  Hf  Hf2  1  0.0  0.93  0.76  1.0
  Mg  Mg3  1  0.0  0.27  0.06  1.0

Na Hf Hf Mg