data_NaHfIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   148.34
_cell_angle_beta   129.75
_cell_angle_gamma   60.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfIn
_chemical_formula_sum   'Na1 Hf1 In1'
_cell_volume   71.08
_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  Na2  1  0.0  0.0  0.5  1.0
  Hf  Hf0  1  0.0  0.0  0.61  1.0
  In  In1  1  0.0  0.0  0.3  1.0

data_NaHfIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.77
_cell_length_c   5.62
_cell_angle_alpha   115.13
_cell_angle_beta   105.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfIn
_chemical_formula_sum   'Na1 Hf1 In1'
_cell_volume   71.08
_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  0.5  0.5  0.5  1.0
  Hf  Hf1  1  0.39  0.39  0.39  1.0
  In  In2  1  0.7  0.7  0.7  1.0

Na Hf In
Na Hf In 0 1 o o o 0 2 o o o 