data_Na2MnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   149.02
_cell_angle_beta   137.83
_cell_angle_gamma   53.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnFe
_chemical_formula_sum   'Na2 Mn1 Fe1'
_cell_volume   59.74
_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  0.01  0.47  1.0
  Na  Na3  1  0.49  0.0  0.52  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.99  1.0

data_Na2MnFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.02
_cell_length_c   5.58
_cell_angle_alpha   111.08
_cell_angle_beta   105.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnFe
_chemical_formula_sum   'Na2 Mn1 Fe1'
_cell_volume   59.74
_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  0.53  0.53  0.53  1.0
  Na  Na1  1  0.98  0.48  0.98  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.01  0.01  0.01  1.0

Na Na Mn Fe
Na Na Mn Fe 0 1 - o o 0 1 o o o 0 0 o + + 0 2 o o o 0 2 o o + 0 3 o o - 0 3 o o o 1 2 o o o 1 2 + o + 1 3 o o - 1 3 + o o 2 3 o o - 