data_Na2MgFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.25
_cell_length_b   11.25
_cell_length_c   11.25
_cell_angle_alpha   15.34
_cell_angle_beta   15.34
_cell_angle_gamma   15.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgFe
_chemical_formula_sum   'Na2 Mg1 Fe1'
_cell_volume   86.73
_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  Na2  1  0.0  0.0  0.13  1.0
  Na  Na3  1  0.0  0.0  0.21  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.67  1.0

data_Na2MgFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   3.0
_cell_length_c   11.25
_cell_angle_alpha   90.0
_cell_angle_beta   98.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2MgFe
_chemical_formula_sum   'Na4 Mg2 Fe2'
_cell_volume   173.46
_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  2  0.0  0.0  0.79  1.0
  Na  Na1  2  0.0  0.0  0.87  1.0
  Mg  Mg2  2  0.0  0.0  0.0  1.0
  Fe  Fe3  2  0.0  0.0  0.33  1.0

Na Na Mg Fe