data_NaMnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   2.47
_cell_angle_alpha   99.26
_cell_angle_beta   99.26
_cell_angle_gamma   116.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnFe2
_chemical_formula_sum   'Na1 Mn1 Fe2'
_cell_volume   51.8
_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  Mn2  1  0.61  0.0  0.0  1.0
  Fe  Fe0  1  0.93  0.11  0.18  1.0
  Fe  Fe1  1  0.93  0.89  0.18  1.0

data_NaMnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.47
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   116.51
_cell_angle_beta   99.26
_cell_angle_gamma   99.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnFe2
_chemical_formula_sum   'Na1 Mn1 Fe2'
_cell_volume   51.8
_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  0.61  0.0  1.0
  Fe  Fe2  1  0.18  0.93  0.11  1.0
  Fe  Fe3  1  0.18  0.93  0.89  1.0

Na Mn Fe Fe