data_Na2TaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.75
_cell_angle_alpha   100.36
_cell_angle_beta   100.36
_cell_angle_gamma   32.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaFe
_chemical_formula_sum   'Na2 Ta1 Fe1'
_cell_volume   90.05
_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  0.01  1.0
  Na  Na2  1  0.8  0.0  0.23  1.0
  Ta  Ta3  1  0.65  0.0  0.76  1.0
  Fe  Fe0  1  0.57  0.0  0.47  1.0

data_Na2TaFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.43
_cell_length_c   5.75
_cell_angle_alpha   100.36
_cell_angle_beta   90.0
_cell_angle_gamma   106.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaFe
_chemical_formula_sum   'Na2 Ta1 Fe1'
_cell_volume   90.05
_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  0.2  0.77  1.0
  Na  Na1  1  0.0  1.0  0.99  1.0
  Ta  Ta2  1  0.0  0.35  0.24  1.0
  Fe  Fe3  1  0.0  0.43  0.53  1.0

Na Na Ta Fe