data_NaMn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.48
_cell_angle_alpha   98.4
_cell_angle_beta   98.4
_cell_angle_gamma   33.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Fe
_chemical_formula_sum   'Na1 Mn2 Fe1'
_cell_volume   61.66
_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  Na3  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.45  0.0  0.88  1.0
  Mn  Mn2  1  0.41  0.0  0.54  1.0
  Fe  Fe0  1  0.93  0.0  0.71  1.0

data_NaMn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.54
_cell_length_c   5.48
_cell_angle_alpha   98.4
_cell_angle_beta   90.0
_cell_angle_gamma   106.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Fe
_chemical_formula_sum   'Na1 Mn2 Fe1'
_cell_volume   61.66
_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  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.55  0.12  1.0
  Mn  Mn2  1  0.0  0.59  0.46  1.0
  Fe  Fe3  1  0.0  0.07  0.29  1.0

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