data_Na2SrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrFe
_chemical_formula_sum   'Na2 Sr1 Fe1'
_cell_volume   118.88
_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  0.36  0.0  0.89  1.0
  Na  Na2  1  0.36  0.0  0.27  1.0
  Sr  Sr3  1  0.0  0.0  0.08  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Na2SrFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrFe
_chemical_formula_sum   'Na2 Sr1 Fe1'
_cell_volume   118.88
_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  0.36  0.0  0.27  1.0
  Na  Na1  1  0.36  0.0  0.89  1.0
  Sr  Sr2  1  0.0  0.0  0.08  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Na Na Sr Fe
Na Na Sr Fe 0 3 o o + 1 2 o o o 2 3 o o o 