data_Na2HfTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   6.09
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   91.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfTa
_chemical_formula_sum   'Na2 Hf1 Ta1'
_cell_volume   90.73
_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  0.62  0.04  0.82  1.0
  Na  Na2  1  0.15  0.04  0.31  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.38  0.0  0.56  1.0

data_Na2HfTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.13
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfTa
_chemical_formula_sum   'Na2 Hf1 Ta1'
_cell_volume   90.73
_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  0.38  0.18  0.96  1.0
  Na  Na1  1  0.85  0.69  0.96  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.62  0.44  0.0  1.0

Na Na Hf Ta