data_NaHfSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   150.1
_cell_angle_beta   133.45
_cell_angle_gamma   56.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfSc
_chemical_formula_sum   'Na1 Hf1 Sc1'
_cell_volume   74.08
_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  Na1  1  0.0  0.0  0.95  1.0
  Hf  Hf0  1  0.0  0.0  0.31  1.0
  Sc  Sc2  1  0.0  0.0  0.57  1.0

data_NaHfSc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.67
_cell_length_c   5.91
_cell_angle_alpha   113.27
_cell_angle_beta   104.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfSc
_chemical_formula_sum   'Na1 Hf1 Sc1'
_cell_volume   74.08
_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  0.95  0.95  1.0
  Hf  Hf1  1  0.0  0.31  0.31  1.0
  Sc  Sc2  1  0.0  0.57  0.57  1.0

Na Hf Sc