data_Na2SrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   139.19
_cell_angle_beta   139.19
_cell_angle_gamma   59.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrFe
_chemical_formula_sum   'Na2 Sr1 Fe1'
_cell_volume   123.22
_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  0.31  0.0  0.88  1.0
  Na  Na2  1  0.0  0.31  0.88  1.0
  Sr  Sr3  1  0.0  0.0  0.77  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Na2SrFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   119.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2SrFe
_chemical_formula_sum   'Na4 Sr2 Fe2'
_cell_volume   246.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.23  0.34  0.57  1.0
  Sr  Sr1  2  0.27  0.5  0.77  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0

Na Na Sr Fe